3-(((4-Chloro-3-methyl-5-isoxazolyl)amino)sulfonyl)-N-(2-(cyclopropylcarbonyl)-4,6-dimethylphenyl)-2-thiophenecarboxamide (HCID 10206855)

기본 정보

표준 SMILES: Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C(=O)C2CC2)c1
InChIKey: YRPFAUGLERVXFY-UHFFFAOYSA-N
분자식: C21H20ClN3O5S2
평균 분자량: 494 g/mol
단동위원소 질량: 493.0532908

이름 및 식별자

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

이름 및 동의어

CHEMBL293830SCHEMBL4630704YRPFAUGLERVXFY-UHFFFAOYSA-NBDBM501438023-(((4-Chloro-3-methyl-5-isoxazolyl)amino)sulfonyl)-N-(2-(cyclopropylcarbonyl)-4,6-dimethylphenyl)-2-thiophenecarboxamide3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (2-cyclopropanecarbonyl-4,6-dimethyl-phenyl)-amide

데이터베이스 식별자

PubChem CID: 10206855
ChEMBL: CHEMBL293830

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 155 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 7
무거운 원자 수: 32
형식 전하: 0
복잡도: 834

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