2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide

C25H27N3O4S — CID 125054943

IUPAC2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide
SMILESCN([C@H](C(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C25H27N3O4S/c1-28(33(2,31)32)23(20-13-7-4-8-14-20)25(30)27-22-16-10-9-15-21(22)24(29)26-18-17-19-11-5-3-6-12-19/h3-16,23H,17-18H2,1-2H3,(H,26,29)(H,27,30)/t23-/m0/s1
InChIKeyYMBCJDLXXJLZHV-QHCPKHFHSA-N
MW465.58 g/mol
LogP3.23
Rot. Bonds9

About 2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide

2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 125054943) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID125054943
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide
SMILESCN([C@H](C(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C25H27N3O4S/c1-28(33(2,31)32)23(20-13-7-4-8-14-20)25(30)27-22-16-10-9-15-21(22)24(29)26-18-17-19-11-5-3-6-12-19/h3-16,23H,17-18H2,1-2H3,(H,26,29)(H,27,30)/t23-/m0/s1
InChIKeyYMBCJDLXXJLZHV-QHCPKHFHSA-N
XLogP3.23
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
CID 133210259
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide
CID 125053712
2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
CID 133161127
ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate
CID 133164044
N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
CID 31493274
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133178688
2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 27055625
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100758648
(2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide
CID 100566721
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide (CID 125054943) is 2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide is CN([C@H](C(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is YMBCJDLXXJLZHV-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-28(33(2,31)32)23(20-13-7-4-8-14-20)25(30)27-22-16-10-9-15-21(22)24(29)26-18-17-19-11-5-3-6-12-19/h3-16,23H,17-18H2,1-2H3,(H,26,29)(H,27,30)/t23-/m0/s1.
What are the key properties of 2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide?
2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 465.58 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 125054943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).