2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide

C21H28ClN3OS — CID 143616634

IUPAC2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide
SMILESCCCn1ccc(NC(=O)C(CC2CCCC2)c2ccc(SC)c(Cl)c2)n1
InChIInChI=1S/C21H28ClN3OS/c1-3-11-25-12-10-20(24-25)23-21(26)17(13-15-6-4-5-7-15)16-8-9-19(27-2)18(22)14-16/h8-10,12,14-15,17H,3-7,11,13H2,1-2H3,(H,23,24,26)
InChIKeyFCWCZEKEWJGWKR-UHFFFAOYSA-N
MW406.00 g/mol
LogP5.97
Rot. Bonds8

About 2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide

2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide (PubChem CID 143616634) has the molecular formula C21H28ClN3OS and a molecular weight of 406.00 g/mol. Its IUPAC name is 2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide
PubChem CID143616634
Molecular FormulaC21H28ClN3OS
Molecular Weight406.00 g/mol
Exact Mass405.16
IUPAC Name2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide
SMILESCCCn1ccc(NC(=O)C(CC2CCCC2)c2ccc(SC)c(Cl)c2)n1
InChIInChI=1S/C21H28ClN3OS/c1-3-11-25-12-10-20(24-25)23-21(26)17(13-15-6-4-5-7-15)16-8-9-19(27-2)18(22)14-16/h8-10,12,14-15,17H,3-7,11,13H2,1-2H3,(H,23,24,26)
InChIKeyFCWCZEKEWJGWKR-UHFFFAOYSA-N
XLogP5.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.00
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-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

(2R)-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
CID 143616639
N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide
CID 143616656
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 67189739
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)propanamide
CID 24889669
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
CID 67190636
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
CID 67190634
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]propanamide
CID 67192146
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide
CID 67189693
2-(3-chloro-4-methylsulfonylphenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-cyclopentylpropanamide
CID 67188657
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]propanamide
CID 67191233
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(2,3-dihydroxy-3-methylbutyl)pyrazol-3-yl]propanamide
CID 67189504
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 67188862

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide?
The IUPAC name of 2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide (CID 143616634) is 2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide is CCCn1ccc(NC(=O)C(CC2CCCC2)c2ccc(SC)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide?
The InChIKey is FCWCZEKEWJGWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3OS/c1-3-11-25-12-10-20(24-25)23-21(26)17(13-15-6-4-5-7-15)16-8-9-19(27-2)18(22)14-16/h8-10,12,14-15,17H,3-7,11,13H2,1-2H3,(H,23,24,26).
What are the key properties of 2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide?
2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide has a molecular weight of 406.00 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide is sourced from PubChem (CID 143616634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).