(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide

C19H21FN2O4S2 — CID 143125890

IUPAC(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCC(=O)CC2)C(=O)Nc2ncc(F)s2)cc1
InChIInChI=1S/C19H21FN2O4S2/c1-28(25,26)15-8-4-13(5-9-15)16(10-12-2-6-14(23)7-3-12)18(24)22-19-21-11-17(20)27-19/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3,(H,21,22,24)/t16-/m1/s1
InChIKeyZHCAKAAHGSMZIG-MRXNPFEDSA-N
MW424.52 g/mol
LogP3.56
Rot. Bonds6

About (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide

(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide (PubChem CID 143125890) has the molecular formula C19H21FN2O4S2 and a molecular weight of 424.52 g/mol. Its IUPAC name is (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide
PubChem CID143125890
Molecular FormulaC19H21FN2O4S2
Molecular Weight424.52 g/mol
Exact Mass424.09
IUPAC Name(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCC(=O)CC2)C(=O)Nc2ncc(F)s2)cc1
InChIInChI=1S/C19H21FN2O4S2/c1-28(25,26)15-8-4-13(5-9-15)16(10-12-2-6-14(23)7-3-12)18(24)22-19-21-11-17(20)27-19/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3,(H,21,22,24)/t16-/m1/s1
InChIKeyZHCAKAAHGSMZIG-MRXNPFEDSA-N
XLogP3.56
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-fluoro-1,3-thiazol-2-yl)amino]-3-oxopropyl]-N-propylpyrrolidine-1-carboxamide
CID 118268348
methyl 5-[[2-[[(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazol-5-yl]oxy]pyridine-3-carboxylate
CID 24780111
(2R)-2-(4-cyclopropylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24906075
(2R)-N-[5-(3-cyanophenoxy)-1,3-thiazol-2-yl]-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide
CID 24780113
3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 142933315
2-tert-butyl-3-[(2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(5-fluoro-1,3-thiazol-2-yl)amino]-3-oxopropyl]pyrrolidine-1-carboxylic acid
CID 138556670
(2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide
CID 67490264
3-cyclopentyl-N-[4-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide
CID 87642611
(2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide
CID 143895910
N-(5-chloro-1,3-thiazol-2-yl)-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]-3-(oxan-4-yl)propanamide
CID 21094198
2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide
CID 91046962
N-(5-bromopyrazin-2-yl)-2-(3-chloro-4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide
CID 10029482

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide?
The IUPAC name of (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide (CID 143125890) is (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide.
What is the SMILES notation for (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide?
The canonical SMILES for (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide is CS(=O)(=O)c1ccc([C@@H](CC2CCC(=O)CC2)C(=O)Nc2ncc(F)s2)cc1.
What is the InChIKey of (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide?
The InChIKey is ZHCAKAAHGSMZIG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21FN2O4S2/c1-28(25,26)15-8-4-13(5-9-15)16(10-12-2-6-14(23)7-3-12)18(24)22-19-21-11-17(20)27-19/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3,(H,21,22,24)/t16-/m1/s1.
What are the key properties of (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide?
(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide has a molecular weight of 424.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide is sourced from PubChem (CID 143125890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).