2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid

C32H32Cl2N2O5S — CID 129153562

IUPAC2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid
SMILESCC1=C(CC(=O)O)C(=O)N(C(CN(c2ccccc2)S(C)(=O)=O)C2CC2)[C@H](c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C32H32Cl2N2O5S/c1-20-27(18-29(37)38)32(39)36(28(21-11-12-21)19-35(42(2,40)41)26-9-4-3-5-10-26)31(22-13-15-24(33)16-14-22)30(20)23-7-6-8-25(34)17-23/h3-10,13-17,21,28,30-31H,11-12,18-19H2,1-2H3,(H,37,38)/t28?,30-,31-/m1/s1
InChIKeyHFNLSSDNCBGRSN-ZSUYXASHSA-N
MW627.59 g/mol
LogP6.70
Rot. Bonds10

About 2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid

2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid (PubChem CID 129153562) has the molecular formula C32H32Cl2N2O5S and a molecular weight of 627.59 g/mol. Its IUPAC name is 2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid
PubChem CID129153562
Molecular FormulaC32H32Cl2N2O5S
Molecular Weight627.59 g/mol
Exact Mass626.14
IUPAC Name2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid
SMILESCC1=C(CC(=O)O)C(=O)N(C(CN(c2ccccc2)S(C)(=O)=O)C2CC2)[C@H](c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C32H32Cl2N2O5S/c1-20-27(18-29(37)38)32(39)36(28(21-11-12-21)19-35(42(2,40)41)26-9-4-3-5-10-26)31(22-13-15-24(33)16-14-22)30(20)23-7-6-8-25(34)17-23/h3-10,13-17,21,28,30-31H,11-12,18-19H2,1-2H3,(H,37,38)/t28?,30-,31-/m1/s1
InChIKeyHFNLSSDNCBGRSN-ZSUYXASHSA-N
XLogP6.70
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.59
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid 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

N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-phenylmethanesulfonamide
CID 76834760
2-[(3R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(N-cyclopropylsulfonylanilino)ethyl]-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 129153890
2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-cyclopropylsulfonylanilino)ethyl]-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 67999119
2-[(3R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-2-(2-cyano-N-methylsulfonylanilino)-1-cyclopropylethyl]-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 129153718
2-[(3R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(2-isocyano-N-methylsulfonylanilino)ethyl]-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 123515049
ethyl 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[1-cyclopropyl-2-(N-cyclopropylsulfonyl-2-fluoroanilino)ethyl]-3-oxomorpholine-2-carboxylate
CID 123655906
2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-(N-cyclopropylsulfonyl-2-fluoroanilino)ethyl]-3-oxomorpholin-2-yl]acetic acid
CID 89490691
2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-(N-cyclopropylsulfonyl-2-fluoroanilino)ethyl]-3-oxo-2-(2,2,2-trifluoroethyl)morpholin-2-yl]acetic acid
CID 89490617
N-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-(2-cyanophenyl)methanesulfonamide
CID 67999473
(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-5-(2,3-dihydroxypropyl)-4-methyl-1-[(1S)-1-(oxan-2-yl)propyl]-2,3-dihydropyridin-6-one
CID 129153523
2-[(3R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[1-cyclopropyl-2-[cyclopropylsulfonyl(methyl)amino]ethyl]-3-ethyl-2-oxopiperidin-3-yl]acetic acid
CID 148986844
2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[1-cyclopropyl-2-[methylsulfonyl(thiophen-2-ylmethyl)amino]ethyl]-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 67998751

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid?
The IUPAC name of 2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid (CID 129153562) is 2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid.
What is the SMILES notation for 2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid?
The canonical SMILES for 2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid is CC1=C(CC(=O)O)C(=O)N(C(CN(c2ccccc2)S(C)(=O)=O)C2CC2)[C@H](c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1.
What is the InChIKey of 2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid?
The InChIKey is HFNLSSDNCBGRSN-ZSUYXASHSA-N. The full InChI is InChI=1S/C32H32Cl2N2O5S/c1-20-27(18-29(37)38)32(39)36(28(21-11-12-21)19-35(42(2,40)41)26-9-4-3-5-10-26)31(22-13-15-24(33)16-14-22)30(20)23-7-6-8-25(34)17-23/h3-10,13-17,21,28,30-31H,11-12,18-19H2,1-2H3,(H,37,38)/t28?,30-,31-/m1/s1.
What are the key properties of 2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid?
2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid has a molecular weight of 627.59 g/mol, XLogP of 6.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-1-[1-cyclopropyl-2-(N-methylsulfonylanilino)ethyl]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetic acid is sourced from PubChem (CID 129153562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).