2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide

C16H18ClN3O4S2 — CID 46693870

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2ncccc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H18ClN3O4S2/c1-20(2)26(22,23)14-9-11(6-7-13(14)24-3)19-15(21)10-25-16-12(17)5-4-8-18-16/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyMABDWPHUXKLERK-UHFFFAOYSA-N
MW415.92 g/mol
LogP2.72
Rot. Bonds7

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide (PubChem CID 46693870) has the molecular formula C16H18ClN3O4S2 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
PubChem CID46693870
Molecular FormulaC16H18ClN3O4S2
Molecular Weight415.92 g/mol
Exact Mass415.04
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2ncccc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H18ClN3O4S2/c1-20(2)26(22,23)14-9-11(6-7-13(14)24-3)19-15(21)10-25-16-12(17)5-4-8-18-16/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyMABDWPHUXKLERK-UHFFFAOYSA-N
XLogP2.72
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]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-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 51319417
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24602003
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 9106527
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 31743631
4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 55898309
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide
CID 24658780
2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 35139385
N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide
CID 9320671
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 9470177
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9106438
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55535495

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide (CID 46693870) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide is COc1ccc(NC(=O)CSc2ncccc2Cl)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
The InChIKey is MABDWPHUXKLERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S2/c1-20(2)26(22,23)14-9-11(6-7-13(14)24-3)19-15(21)10-25-16-12(17)5-4-8-18-16/h4-9H,10H2,1-3H3,(H,19,21).
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide has a molecular weight of 415.92 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 46693870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).