N-(2-acetyl-4,6-dimethylphenyl)-3-(((4-chloro-3-methyl-5-isoxazolyl)amino)sulfonyl)-2-thiophenecarboxamide

HCID 9934302

기본 정보

표준 SMILES
CC(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIKey
YFJUSGDKCDQMNE-UHFFFAOYSA-N
분자식
C19H18ClN3O5S2
평균 분자량
467.9 g/mol

이름 및 식별자

우선 이름
N-(2-acetyl-4,6-dimethylphenyl)-3-(((4-chloro-3-methyl-5-isoxazolyl)amino)sulfonyl)-2-thiophenecarboxamide
IUPAC
N-(2-acetyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide

이름 및 동의어

CHEMBL19950N-(2-acetyl-4,6-dimethylphenyl)-3-(((4-chloro-3-methyl-5-isoxazolyl)amino)sulfonyl)-2-thiophenecarboxamideSCHEMBL434551YFJUSGDKCDQMNE-UHFFFAOYSA-NBDBM50098777N-(2-acetyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamideL0203163-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (2-acetyl-4,6-dimethyl-phenyl)-amide

데이터베이스 식별자

PubChem CID
9934302
ChEMBL
CHEMBL19950
Nikkaji
J1.538.445J

물성

구조 계산 물성

XLogP
4.1
극성 표면적
155 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
6
무거운 원자 수
30

관련 반응

13건

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