N-(4-chloro-3-methyl-5-isoxazolyl)-2-[{2-cyano-4, 5-dimethoxyphenyl)aminocarbonyl]-thiophene-3-sulfonamide

HCID 9956918

기본 정보

표준 SMILES
COc1cc(C#N)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)cc1OC
InChIKey
DDLQURLFWCNWJP-UHFFFAOYSA-N
분자식
C18H15ClN4O6S2
평균 분자량
482.9 g/mol

이름 및 식별자

우선 이름
N-(4-chloro-3-methyl-5-isoxazolyl)-2-[{2-cyano-4, 5-dimethoxyphenyl)aminocarbonyl]-thiophene-3-sulfonamide
IUPAC
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-cyano-4,5-dimethoxyphenyl)thiophene-2-carboxamide

이름 및 동의어

CHEMBL44544SCHEMBL4631504DDLQURLFWCNWJP-UHFFFAOYSA-NBDBM50058120L0156523-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (2-cyano-4,5-dimethoxy-phenyl)-amideN-(4-chloro-3-methyl-5-isoxazolyl)-2-[{2-cyano-4, 5-dimethoxyphenyl)aminocarbonyl]-thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)-2-[{2-cyano-4,5-dimethoxyphenyl)aminocarbonyl]-thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)-2-[{2-cyano-4,5-dimethoxyphenyl)aminocarbonyl]thiophene-3-sulfonamide

데이터베이스 식별자

PubChem CID
9956918
ChEMBL
CHEMBL44544

물성

구조 계산 물성

XLogP
3.3
극성 표면적
180 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
10
회전 가능 결합 수
7
무거운 원자 수
31

관련 반응

8건

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