2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide

C16H16N2O5S — CID 102037094

IUPAC2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H16N2O5S/c1-16(2,12-6-4-3-5-7-12)15(19)17-24(22,23)14-10-8-13(9-11-14)18(20)21/h3-11H,1-2H3,(H,17,19)
InChIKeyREUUFEAHDXXFCR-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.38
Rot. Bonds5

About 2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide

2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide (PubChem CID 102037094) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide
PubChem CID102037094
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H16N2O5S/c1-16(2,12-6-4-3-5-7-12)15(19)17-24(22,23)14-10-8-13(9-11-14)18(20)21/h3-11H,1-2H3,(H,17,19)
InChIKeyREUUFEAHDXXFCR-UHFFFAOYSA-N
XLogP2.38
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide
CID 51086068
[2-methyl-1-[(4-nitrophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate
CID 130408658
N'-(benzenesulfonyl)-N-(4-nitrophenyl)propanediamide
CID 135052001
N-(2-hydroxy-2-methylpropyl)-4-nitrobenzenesulfonamide
CID 65113024
(2S)-3,3-dimethyl-2-[(4-nitrophenyl)sulfonylamino]butanoic acid
CID 61142393
3,3-dimethyl-2-[(4-nitrophenyl)sulfonylamino]butanoic acid
CID 43468059
2-phenylpropan-2-yl 4-nitrobenzoate
CID 4207354
methyl N-[(4-nitrophenyl)sulfonylcarbamoyl]carbamate
CID 23049624
N-[2-methyl-1-(4-nitrophenoxy)propan-2-yl]benzenesulfonamide
CID 21178376
3-[(4-nitrophenyl)sulfonylamino]benzoic acid
CID 7938678
[(4-nitrophenyl)sulfonylamino]carbamic acid
CID 170161166
2-methyl-2-[4-(4-nitrophenyl)phenyl]propanoic acid
CID 82039226

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide?
The IUPAC name of 2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide (CID 102037094) is 2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide.
What is the SMILES notation for 2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide?
The canonical SMILES for 2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide is CC(C)(C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide?
The InChIKey is REUUFEAHDXXFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-16(2,12-6-4-3-5-7-12)15(19)17-24(22,23)14-10-8-13(9-11-14)18(20)21/h3-11H,1-2H3,(H,17,19).
What are the key properties of 2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide?
2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide has a molecular weight of 348.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide is sourced from PubChem (CID 102037094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).