N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide

C17H19NO3S — CID 58597535

IUPACN-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
SMILESCCN(C(C)C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-3-18(22(20,21)16-12-8-5-9-13-16)14(2)17(19)15-10-6-4-7-11-15/h4-14H,3H2,1-2H3
InChIKeyYWGQGWCJJAAGCH-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.97
Rot. Bonds6

About N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide

N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 58597535) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
PubChem CID58597535
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
SMILESCCN(C(C)C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-3-18(22(20,21)16-12-8-5-9-13-16)14(2)17(19)15-10-6-4-7-11-15/h4-14H,3H2,1-2H3
InChIKeyYWGQGWCJJAAGCH-UHFFFAOYSA-N
XLogP2.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-[benzenesulfonyl(ethyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42679865
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
(2S)-2-[ethyl-(4-methylphenyl)sulfonylamino]propanoic acid
CID 67639025
2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one
CID 43796822
ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate
CID 54135692
1-phenyl-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795382
N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide
CID 61254119
4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide
CID 92534233
methyl 4-[(2S)-2-[benzenesulfonyl(propyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144626
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 103103066
4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide
CID 43274837
methyl 4-[(2R)-2-[benzenesulfonyl(propyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 93145574

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide (CID 58597535) is N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide is CCN(C(C)C(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is YWGQGWCJJAAGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-3-18(22(20,21)16-12-8-5-9-13-16)14(2)17(19)15-10-6-4-7-11-15/h4-14H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide?
N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 58597535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).