2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide

C19H17ClN2O3S3 — CID 87417960

IUPAC2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)(C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H17ClN2O3S3/c1-19(17(23)22-18-21-11-12-26-18,27-15-7-5-14(20)6-8-15)13-3-9-16(10-4-13)28(2,24)25/h3-12H,1-2H3,(H,21,22,23)
InChIKeyGVAOEPKDMFPCOF-UHFFFAOYSA-N
MW453.01 g/mol
LogP4.85
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide

2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 87417960) has the molecular formula C19H17ClN2O3S3 and a molecular weight of 453.01 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID87417960
Molecular FormulaC19H17ClN2O3S3
Molecular Weight453.01 g/mol
Exact Mass452.01
IUPAC Name2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)(C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H17ClN2O3S3/c1-19(17(23)22-18-21-11-12-26-18,27-15-7-5-14(20)6-8-15)13-3-9-16(10-4-13)28(2,24)25/h3-12H,1-2H3,(H,21,22,23)
InChIKeyGVAOEPKDMFPCOF-UHFFFAOYSA-N
XLogP4.85
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.01
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide 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-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 59363839
2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 24960870
(E)-2-(4-methylsulfonylphenyl)-N,3-bis(1,3-thiazol-2-yl)prop-2-enamide
CID 10249892
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 40964488
2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide
CID 3265126
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 94016494
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333
4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295292
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156
N-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine
CID 87964045
4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 25041464

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 87417960) is 2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide is CC(Sc1ccc(Cl)cc1)(C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is GVAOEPKDMFPCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S3/c1-19(17(23)22-18-21-11-12-26-18,27-15-7-5-14(20)6-8-15)13-3-9-16(10-4-13)28(2,24)25/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 453.01 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 87417960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).