2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

C20H18ClN3O3S2 — CID 38016983

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CSCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C20H18ClN3O3S2/c21-16-5-3-4-15(12-16)13-28-14-20(25)23-17-7-9-18(10-8-17)29(26,27)24-19-6-1-2-11-22-19/h1-12H,13-14H2,(H,22,24)(H,23,25)
InChIKeyXVAQWEBRQJRRLA-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.41
Rot. Bonds8

About 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 38016983) has the molecular formula C20H18ClN3O3S2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID38016983
Molecular FormulaC20H18ClN3O3S2
Molecular Weight447.97 g/mol
Exact Mass447.05
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CSCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C20H18ClN3O3S2/c21-16-5-3-4-15(12-16)13-28-14-20(25)23-17-7-9-18(10-8-17)29(26,27)24-19-6-1-2-11-22-19/h1-12H,13-14H2,(H,22,24)(H,23,25)
InChIKeyXVAQWEBRQJRRLA-UHFFFAOYSA-N
XLogP4.41
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 25039698
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9219362
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 28589500
2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 27700031
2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 21232687
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
2-(4-methylphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19204350
2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 40713437
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542410
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 38016983) is 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is O=C(CSCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is XVAQWEBRQJRRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S2/c21-16-5-3-4-15(12-16)13-28-14-20(25)23-17-7-9-18(10-8-17)29(26,27)24-19-6-1-2-11-22-19/h1-12H,13-14H2,(H,22,24)(H,23,25).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 447.97 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 38016983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).