2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide

C17H19NO3S — CID 2992103

IUPAC2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13(2)15-10-6-7-11-16(15)18-17(19)12-22(20,21)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeyOWFDUHCXERLLMA-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.22
Rot. Bonds5

About 2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide

2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 2992103) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID2992103
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13(2)15-10-6-7-11-16(15)18-17(19)12-22(20,21)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeyOWFDUHCXERLLMA-UHFFFAOYSA-N
XLogP3.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide
CID 110771330
2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112779682
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159
2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113153663
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide
CID 2111548
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
(2S)-2-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]propanoic acid
CID 83194689

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide (CID 2992103) is 2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is OWFDUHCXERLLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13(2)15-10-6-7-11-16(15)18-17(19)12-22(20,21)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,18,19).
What are the key properties of 2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide?
2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2992103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).