2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide

C17H19N3O4S — CID 133161127

IUPAC2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
SMILESCN(C(C(=O)Nc1ccccc1C(N)=O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H19N3O4S/c1-20(25(2,23)24)15(12-8-4-3-5-9-12)17(22)19-14-11-7-6-10-13(14)16(18)21/h3-11,15H,1-2H3,(H2,18,21)(H,19,22)
InChIKeyNAHQANRYHJXADM-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.36
Rot. Bonds6

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

2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide (PubChem CID 133161127) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
PubChem CID133161127
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
SMILESCN(C(C(=O)Nc1ccccc1C(N)=O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H19N3O4S/c1-20(25(2,23)24)15(12-8-4-3-5-9-12)17(22)19-14-11-7-6-10-13(14)16(18)21/h3-11,15H,1-2H3,(H2,18,21)(H,19,22)
InChIKeyNAHQANRYHJXADM-UHFFFAOYSA-N
XLogP1.36
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate
CID 133164044
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(2-phenylphenyl)acetamide
CID 125058384
2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide
CID 125054943
N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
CID 133210259
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133210950
(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125060901
N-(5-chloro-2-methylphenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133228030
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide
CID 133251735
(2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125054387
2-(2-ethylbutanoylamino)benzamide
CID 1214109
(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide
CID 125054821

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide?
The IUPAC name of 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide (CID 133161127) is 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide is CN(C(C(=O)Nc1ccccc1C(N)=O)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide?
The InChIKey is NAHQANRYHJXADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-20(25(2,23)24)15(12-8-4-3-5-9-12)17(22)19-14-11-7-6-10-13(14)16(18)21/h3-11,15H,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide?
2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide has a molecular weight of 361.42 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide is sourced from PubChem (CID 133161127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).