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

C24H26N2O3S — CID 93160173

IUPAC(2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCc1ccccc1[C@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-18-12-10-11-17-22(18)23(20-13-6-4-7-14-20)25-24(27)19(2)26(30(3,28)29)21-15-8-5-9-16-21/h4-17,19,23H,1-3H3,(H,25,27)/t19-,23+/m0/s1
InChIKeyIAXNIVJQEUUTGS-WMZHIEFXSA-N
MW422.55 g/mol
LogP4.06
Rot. Bonds7

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

(2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide (PubChem CID 93160173) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is (2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide
PubChem CID93160173
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name(2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCc1ccccc1[C@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-18-12-10-11-17-22(18)23(20-13-6-4-7-14-20)25-24(27)19(2)26(30(3,28)29)21-15-8-5-9-16-21/h4-17,19,23H,1-3H3,(H,25,27)/t19-,23+/m0/s1
InChIKeyIAXNIVJQEUUTGS-WMZHIEFXSA-N
XLogP4.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 92674039
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 28580335
(2R)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide
CID 93172718
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide
CID 46772725
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 94019484
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide
CID 125059689
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 28634282
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]propanamide
CID 124549731
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 92682168
N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132671548
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 125060507

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide (CID 93160173) is (2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide is Cc1ccccc1[C@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of (2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is IAXNIVJQEUUTGS-WMZHIEFXSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18-12-10-11-17-22(18)23(20-13-6-4-7-14-20)25-24(27)19(2)26(30(3,28)29)21-15-8-5-9-16-21/h4-17,19,23H,1-3H3,(H,25,27)/t19-,23+/m0/s1.
What are the key properties of (2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide?
(2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 422.55 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 93160173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).