4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide

C19H23NO3S — CID 26034569

IUPAC4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-14(2)17-7-5-16(6-8-17)13-20(4)24(22,23)19-11-9-18(10-12-19)15(3)21/h5-12,14H,13H2,1-4H3
InChIKeyAAAKCILLCCXXRT-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.83
Rot. Bonds6

About 4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide

4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide (PubChem CID 26034569) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
PubChem CID26034569
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-14(2)17-7-5-16(6-8-17)13-20(4)24(22,23)19-11-9-18(10-12-19)15(3)21/h5-12,14H,13H2,1-4H3
InChIKeyAAAKCILLCCXXRT-UHFFFAOYSA-N
XLogP3.83
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26027770
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
methyl 4-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]benzoate
CID 26057385
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide
CID 61362253
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 55584143
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
4-acetyl-N-(2,2-dimethoxyethyl)-N-methylbenzenesulfonamide
CID 3724820
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide
CID 132666915
N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide
CID 135065997
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide (CID 26034569) is 4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is AAAKCILLCCXXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14(2)17-7-5-16(6-8-17)13-20(4)24(22,23)19-11-9-18(10-12-19)15(3)21/h5-12,14H,13H2,1-4H3.
What are the key properties of 4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 345.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 26034569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).