(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide

C24H25FN2O3S — CID 94019484

IUPAC(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccc([C@@H](NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C24H25FN2O3S/c1-17-9-11-20(12-10-17)23(19-7-5-4-6-8-19)26-24(28)18(2)27(31(3,29)30)22-15-13-21(25)14-16-22/h4-16,18,23H,1-3H3,(H,26,28)/t18-,23+/m1/s1
InChIKeyHNZCVZRCGNBQRC-JPYJTQIMSA-N
MW440.54 g/mol
LogP4.19
Rot. Bonds7

About (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide

(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide (PubChem CID 94019484) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
PubChem CID94019484
Molecular FormulaC24H25FN2O3S
Molecular Weight440.54 g/mol
Exact Mass440.16
IUPAC Name(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccc([C@@H](NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C24H25FN2O3S/c1-17-9-11-20(12-10-17)23(19-7-5-4-6-8-19)26-24(28)18(2)27(31(3,29)30)22-15-13-21(25)14-16-22/h4-16,18,23H,1-3H3,(H,26,28)/t18-,23+/m1/s1
InChIKeyHNZCVZRCGNBQRC-JPYJTQIMSA-N
XLogP4.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 92682168
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 94012958
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 94012957
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 40823158
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]propanamide
CID 124549731
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 92684693
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 92646732
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 28634282
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 28575427
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide
CID 99956482
(2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide
CID 93160173
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124550781

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide?
The IUPAC name of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide (CID 94019484) is (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide?
The canonical SMILES for (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide is Cc1ccc([C@@H](NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide?
The InChIKey is HNZCVZRCGNBQRC-JPYJTQIMSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-17-9-11-20(12-10-17)23(19-7-5-4-6-8-19)26-24(28)18(2)27(31(3,29)30)22-15-13-21(25)14-16-22/h4-16,18,23H,1-3H3,(H,26,28)/t18-,23+/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide?
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide has a molecular weight of 440.54 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide is sourced from PubChem (CID 94019484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).