(2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide

C24H31F2N3O4S2 — CID 67435360

IUPAC(2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide
SMILESO=C(NC1=CN(N2CCOCC2)CS1)[C@H](CC1CC(F)C(F)C1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C24H31F2N3O4S2/c25-21-12-16(13-22(21)26)11-20(17-1-3-18(4-2-17)35(31,32)19-5-6-19)24(30)27-23-14-29(15-34-23)28-7-9-33-10-8-28/h1-4,14,16,19-22H,5-13,15H2,(H,27,30)/t16?,20-,21?,22?/m1/s1
InChIKeyYPABKPPXGCCGGN-PGWLQHKVSA-N
MW527.66 g/mol
LogP3.35
Rot. Bonds8

About (2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide

(2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide (PubChem CID 67435360) has the molecular formula C24H31F2N3O4S2 and a molecular weight of 527.66 g/mol. Its IUPAC name is (2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide
PubChem CID67435360
Molecular FormulaC24H31F2N3O4S2
Molecular Weight527.66 g/mol
Exact Mass527.17
IUPAC Name(2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide
SMILESO=C(NC1=CN(N2CCOCC2)CS1)[C@H](CC1CC(F)C(F)C1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C24H31F2N3O4S2/c25-21-12-16(13-22(21)26)11-20(17-1-3-18(4-2-17)35(31,32)19-5-6-19)24(30)27-23-14-29(15-34-23)28-7-9-33-10-8-28/h1-4,14,16,19-22H,5-13,15H2,(H,27,30)/t16?,20-,21?,22?/m1/s1
InChIKeyYPABKPPXGCCGGN-PGWLQHKVSA-N
XLogP3.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.66
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-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-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-methyl-2H-1,3-thiazol-5-yl)propanamide
CID 67433975
2-(4-cyclopropylsulfonylphenyl)-3-[(3S,4R)-3,4-difluorocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide
CID 25013433
2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(1-methylpyrazol-3-yl)propanamide
CID 67435318
(2R)-N-(5-cyclopropyl-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-3-[(3S,4R)-3,4-difluorocyclopentyl]propanamide
CID 67435584
ethyl 2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]propanoate
CID 59285460
(2R)-2-(4-cyclopropylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24906075
(2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide
CID 67435046
(2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide
CID 58860827
(2R)-2-(4-cyclopropylsulfonylphenyl)-N-[4-(2,2-dimethylpropanoyl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide
CID 46195122
2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide
CID 21093931
2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)propanoic acid
CID 21093929
(2R)-2-(4-cyclopropylsulfonylphenyl)-N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide
CID 59649354

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide?
The IUPAC name of (2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide (CID 67435360) is (2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide is O=C(NC1=CN(N2CCOCC2)CS1)[C@H](CC1CC(F)C(F)C1)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of (2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide?
The InChIKey is YPABKPPXGCCGGN-PGWLQHKVSA-N. The full InChI is InChI=1S/C24H31F2N3O4S2/c25-21-12-16(13-22(21)26)11-20(17-1-3-18(4-2-17)35(31,32)19-5-6-19)24(30)27-23-14-29(15-34-23)28-7-9-33-10-8-28/h1-4,14,16,19-22H,5-13,15H2,(H,27,30)/t16?,20-,21?,22?/m1/s1.
What are the key properties of (2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide?
(2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide has a molecular weight of 527.66 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 67435360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).