(2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide

C24H26N2O3S — CID 125059689

IUPAC(2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide
SMILESCc1ccccc1[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-18-12-10-11-17-21(18)22(19-13-6-4-7-14-19)25-24(27)23(26(2)30(3,28)29)20-15-8-5-9-16-20/h4-17,22-23H,1-3H3,(H,25,27)/t22-,23+/m1/s1
InChIKeyFRNQFXFSMCSICT-PKTZIBPZSA-N
MW422.55 g/mol
LogP3.83
Rot. Bonds7

About (2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide

(2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide (PubChem CID 125059689) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is (2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide
PubChem CID125059689
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name(2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide
SMILESCc1ccccc1[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-18-12-10-11-17-21(18)22(19-13-6-4-7-14-19)25-24(27)23(26(2)30(3,28)29)20-15-8-5-9-16-20/h4-17,22-23H,1-3H3,(H,25,27)/t22-,23+/m1/s1
InChIKeyFRNQFXFSMCSICT-PKTZIBPZSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide
CID 93160173
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
(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
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide
CID 125054362
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide
CID 46772725
2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 133184536
N-(5-chloro-2-methylphenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133228030
N,N-dimethyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133219262
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide (CID 125059689) is (2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide is Cc1ccccc1[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of (2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide?
The InChIKey is FRNQFXFSMCSICT-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18-12-10-11-17-21(18)22(19-13-6-4-7-14-19)25-24(27)23(26(2)30(3,28)29)20-15-8-5-9-16-20/h4-17,22-23H,1-3H3,(H,25,27)/t22-,23+/m1/s1.
What are the key properties of (2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide?
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide has a molecular weight of 422.55 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide is sourced from PubChem (CID 125059689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).