2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide

C15H17ClN2O3S3 — CID 9141609

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CSCc2ccc(Cl)s2)c1C
InChIInChI=1S/C15H17ClN2O3S3/c1-9-5-12(24(17,20)21)6-13(10(9)2)18-15(19)8-22-7-11-3-4-14(16)23-11/h3-6H,7-8H2,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyKXSVWPWBKBCYMG-UHFFFAOYSA-N
MW404.97 g/mol
LogP3.54
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide (PubChem CID 9141609) has the molecular formula C15H17ClN2O3S3 and a molecular weight of 404.97 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
PubChem CID9141609
Molecular FormulaC15H17ClN2O3S3
Molecular Weight404.97 g/mol
Exact Mass404.01
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CSCc2ccc(Cl)s2)c1C
InChIInChI=1S/C15H17ClN2O3S3/c1-9-5-12(24(17,20)21)6-13(10(9)2)18-15(19)8-22-7-11-3-4-14(16)23-11/h3-6H,7-8H2,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyKXSVWPWBKBCYMG-UHFFFAOYSA-N
XLogP3.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.97
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9141642
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 8623417
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753437
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
CID 60701138
2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141313
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870321
2-(2,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 27640834
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43546509
3-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-2-carboxylic acid
CID 104739627
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 55366896

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide (CID 9141609) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)CSCc2ccc(Cl)s2)c1C.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
The InChIKey is KXSVWPWBKBCYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S3/c1-9-5-12(24(17,20)21)6-13(10(9)2)18-15(19)8-22-7-11-3-4-14(16)23-11/h3-6H,7-8H2,1-2H3,(H,18,19)(H2,17,20,21).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide has a molecular weight of 404.97 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide is sourced from PubChem (CID 9141609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).