2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide

C19H23N3O4S2 — CID 23394566

IUPAC2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ncc(C(N)=O)s2)cc1
InChIInChI=1S/C19H23N3O4S2/c1-28(25,26)14-8-6-13(7-9-14)15(10-12-4-2-3-5-12)18(24)22-19-21-11-16(27-19)17(20)23/h6-9,11-12,15H,2-5,10H2,1H3,(H2,20,23)(H,21,22,24)
InChIKeyBKGFGLDBJAEGQW-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.95
Rot. Bonds7

About 2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide

2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 23394566) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID23394566
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC Name2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ncc(C(N)=O)s2)cc1
InChIInChI=1S/C19H23N3O4S2/c1-28(25,26)14-8-6-13(7-9-14)15(10-12-4-2-3-5-12)18(24)22-19-21-11-16(27-19)17(20)23/h6-9,11-12,15H,2-5,10H2,1H3,(H2,20,23)(H,21,22,24)
InChIKeyBKGFGLDBJAEGQW-UHFFFAOYSA-N
XLogP2.95
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide (CID 23394566) is 2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide is CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ncc(C(N)=O)s2)cc1.
What is the InChIKey of 2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is BKGFGLDBJAEGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-28(25,26)14-8-6-13(7-9-14)15(10-12-4-2-3-5-12)18(24)22-19-21-11-16(27-19)17(20)23/h6-9,11-12,15H,2-5,10H2,1H3,(H2,20,23)(H,21,22,24).
What are the key properties of 2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide?
2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23394566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).