2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide

C21H27NO3S — CID 112795627

IUPAC2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
SMILESCC(C)c1ccc(C(NC(=O)CS(=O)(=O)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H27NO3S/c1-15(2)17-10-12-18(13-11-17)21(16(3)4)22-20(23)14-26(24,25)19-8-6-5-7-9-19/h5-13,15-16,21H,14H2,1-4H3,(H,22,23)
InChIKeyJOBMYOOZXSWRAP-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.10
Rot. Bonds7

About 2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide

2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide (PubChem CID 112795627) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
PubChem CID112795627
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
SMILESCC(C)c1ccc(C(NC(=O)CS(=O)(=O)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H27NO3S/c1-15(2)17-10-12-18(13-11-17)21(16(3)4)22-20(23)14-26(24,25)19-8-6-5-7-9-19/h5-13,15-16,21H,14H2,1-4H3,(H,22,23)
InChIKeyJOBMYOOZXSWRAP-UHFFFAOYSA-N
XLogP4.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-methyl-1-phenylpropyl)acetamide
CID 10492239
N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 18200681
2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide
CID 60559744
2-(benzenesulfonyl)-N-hydroxyacetamide
CID 91245592
1-(benzenesulfonyl)-4-(4-propan-2-ylphenyl)but-3-en-2-one
CID 141101641
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46404131
(2R)-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-methylbutanoic acid
CID 119369259
2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide
CID 2992103
2-amino-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119273385
2-(methylamino)-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119693512
5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
CID 46513558
4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119272369

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide (CID 112795627) is 2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide is CC(C)c1ccc(C(NC(=O)CS(=O)(=O)c2ccccc2)C(C)C)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The InChIKey is JOBMYOOZXSWRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-15(2)17-10-12-18(13-11-17)21(16(3)4)22-20(23)14-26(24,25)19-8-6-5-7-9-19/h5-13,15-16,21H,14H2,1-4H3,(H,22,23).
What are the key properties of 2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide has a molecular weight of 373.52 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide is sourced from PubChem (CID 112795627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).