2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide

C21H25Cl2N3O4S2 — CID 76587238

IUPAC2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
SMILESCc1cc(S(=O)(=O)C2CC2)c(Cl)c(=O)n1C(CC1CCCCC1)C(=O)Nc1ncc(Cl)s1
InChIInChI=1S/C21H25Cl2N3O4S2/c1-12-9-16(32(29,30)14-7-8-14)18(23)20(28)26(12)15(10-13-5-3-2-4-6-13)19(27)25-21-24-11-17(22)31-21/h9,11,13-15H,2-8,10H2,1H3,(H,24,25,27)
InChIKeyBYAGOKUKFYATDB-UHFFFAOYSA-N
MW518.49 g/mol
LogP5.01
Rot. Bonds7

About 2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide

2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide (PubChem CID 76587238) has the molecular formula C21H25Cl2N3O4S2 and a molecular weight of 518.49 g/mol. Its IUPAC name is 2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
PubChem CID76587238
Molecular FormulaC21H25Cl2N3O4S2
Molecular Weight518.49 g/mol
Exact Mass517.07
IUPAC Name2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
SMILESCc1cc(S(=O)(=O)C2CC2)c(Cl)c(=O)n1C(CC1CCCCC1)C(=O)Nc1ncc(Cl)s1
InChIInChI=1S/C21H25Cl2N3O4S2/c1-12-9-16(32(29,30)14-7-8-14)18(23)20(28)26(12)15(10-13-5-3-2-4-6-13)19(27)25-21-24-11-17(22)31-21/h9,11,13-15H,2-8,10H2,1H3,(H,24,25,27)
InChIKeyBYAGOKUKFYATDB-UHFFFAOYSA-N
XLogP5.01
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide
CID 24961076
3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 87419743
N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide
CID 88991173
N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide
CID 87417610
2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 76587215
methyl 2-[[(2S)-3-cyclohexyl-2-(6,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 71540713
N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(5-nitro-3-oxo-1H-isoindol-2-yl)propanamide
CID 18402205
(2S)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(1-hydroxy-5-nitroisoindol-2-yl)propanamide
CID 91321239
methyl 2-[[(2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-3-(oxan-4-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 24958876
(2S)-N-(5-chloro-1,3-thiazol-2-yl)-3-(oxan-4-yl)-2-[2-oxo-4-(2,2,2-trifluoroethylsulfonyl)-1-pyridinyl]propanamide
CID 87334081
6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide
CID 24962519
2-[[(2S)-3-cyclohexyl-2-(5,6-dichloro-3-oxo-1H-isoindol-2-yl)propanoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 71540265

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide?
The IUPAC name of 2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide (CID 76587238) is 2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide.
What is the SMILES notation for 2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide?
The canonical SMILES for 2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide is Cc1cc(S(=O)(=O)C2CC2)c(Cl)c(=O)n1C(CC1CCCCC1)C(=O)Nc1ncc(Cl)s1.
What is the InChIKey of 2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide?
The InChIKey is BYAGOKUKFYATDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O4S2/c1-12-9-16(32(29,30)14-7-8-14)18(23)20(28)26(12)15(10-13-5-3-2-4-6-13)19(27)25-21-24-11-17(22)31-21/h9,11,13-15H,2-8,10H2,1H3,(H,24,25,27).
What are the key properties of 2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide?
2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide has a molecular weight of 518.49 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide is sourced from PubChem (CID 76587238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).