3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide

C20H24N2O4S — CID 55416154

IUPAC3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-14(2)19(22-18(23)12-15-8-5-4-6-9-15)20(24)21-16-10-7-11-17(13-16)27(3,25)26/h4-11,13-14,19H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyOCVWISWOTLUVTD-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.41
Rot. Bonds7

About 3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide

3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 55416154) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide
PubChem CID55416154
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-14(2)19(22-18(23)12-15-8-5-4-6-9-15)20(24)21-16-10-7-11-17(13-16)27(3,25)26/h4-11,13-14,19H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyOCVWISWOTLUVTD-UHFFFAOYSA-N
XLogP2.41
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 8927212
N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610497
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
4-chloro-N-[3-methyl-1-(3-methylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 55416259
benzyl N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]carbamate
CID 9068605
(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide
CID 96526958
2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
CID 24582092
3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide
CID 55766078
methyl 3-[2-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]ethynyl]benzoate
CID 55549663
2-ethyl-N-(3-methylsulfonylphenyl)butanamide
CID 47118406
(2S)-N-(4-fluoro-3-nitrophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 9207739

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of 3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide (CID 55416154) is 3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide is CC(C)C(NC(=O)Cc1ccccc1)C(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is OCVWISWOTLUVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14(2)19(22-18(23)12-15-8-5-4-6-9-15)20(24)21-16-10-7-11-17(13-16)27(3,25)26/h4-11,13-14,19H,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide?
3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 388.49 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 55416154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).