N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide

C16H19ClN2O3S3 — CID 22430597

IUPACN-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCSCCC(NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H19ClN2O3S3/c1-11-12(17)5-3-6-13(11)18-16(20)14(8-10-23-2)19-25(21,22)15-7-4-9-24-15/h3-7,9,14,19H,8,10H2,1-2H3,(H,18,20)
InChIKeyGVBPLWSBNZIMFF-UHFFFAOYSA-N
MW418.99 g/mol
LogP3.75
Rot. Bonds8

About N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide

N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 22430597) has the molecular formula C16H19ClN2O3S3 and a molecular weight of 418.99 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID22430597
Molecular FormulaC16H19ClN2O3S3
Molecular Weight418.99 g/mol
Exact Mass418.02
IUPAC NameN-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCSCCC(NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H19ClN2O3S3/c1-11-12(17)5-3-6-13(11)18-16(20)14(8-10-23-2)19-25(21,22)15-7-4-9-24-15/h3-7,9,14,19H,8,10H2,1-2H3,(H,18,20)
InChIKeyGVBPLWSBNZIMFF-UHFFFAOYSA-N
XLogP3.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.99
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide 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

N-(2-chloro-4-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 126458163
N-(3-chloro-4-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15989595
N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide
CID 22427317
(2S)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 92656215
(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906681
N-[1-(3-chloro-2-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55335470
2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide
CID 115285851
N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
CID 48529738
1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea
CID 20886019
N-(cyanomethyl)-3-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 87927606
N-(2-fluorophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 15998707
N-(2,3-dimethylphenyl)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanylbutanamide
CID 20873644

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide (CID 22430597) is N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide is CSCCC(NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is GVBPLWSBNZIMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S3/c1-11-12(17)5-3-6-13(11)18-16(20)14(8-10-23-2)19-25(21,22)15-7-4-9-24-15/h3-7,9,14,19H,8,10H2,1-2H3,(H,18,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide?
N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 418.99 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 22430597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).