3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide

C20H23NO3S — CID 51169070

IUPAC3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)C(C)C2CC2)c1
InChIInChI=1S/C20H23NO3S/c1-15(18-11-12-18)21(14-17-7-4-3-5-8-17)25(23,24)20-10-6-9-19(13-20)16(2)22/h3-10,13,15,18H,11-12,14H2,1-2H3
InChIKeyCRKHNSXDROYFDW-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.88
Rot. Bonds7

About 3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide

3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide (PubChem CID 51169070) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide
PubChem CID51169070
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)C(C)C2CC2)c1
InChIInChI=1S/C20H23NO3S/c1-15(18-11-12-18)21(14-17-7-4-3-5-8-17)25(23,24)20-10-6-9-19(13-20)16(2)22/h3-10,13,15,18H,11-12,14H2,1-2H3
InChIKeyCRKHNSXDROYFDW-UHFFFAOYSA-N
XLogP3.88
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide
CID 51926702
N-benzyl-N-(1-cyclopropylethyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 75854495
N-benzyl-N-(1-cyclopropylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 74614197
N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide
CID 4825022
methyl 3-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]-4-chlorobenzoate
CID 35299124
3-[(3-acetylphenyl)sulfonyl-cyclopropylamino]propanoic acid
CID 60718163
N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide
CID 74633975
methyl (2S)-2-[benzyl-[3-(dimethylcarbamoyl)phenyl]sulfonylamino]propanoate
CID 71905541
3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82951128
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 43021359
3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide
CID 60707719

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide (CID 51169070) is 3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)C(C)C2CC2)c1.
What is the InChIKey of 3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide?
The InChIKey is CRKHNSXDROYFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-15(18-11-12-18)21(14-17-7-4-3-5-8-17)25(23,24)20-10-6-9-19(13-20)16(2)22/h3-10,13,15,18H,11-12,14H2,1-2H3.
What are the key properties of 3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide?
3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide has a molecular weight of 357.48 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide is sourced from PubChem (CID 51169070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).