2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide

C20H25NO3S — CID 39716958

IUPAC2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CS(=O)(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C20H25NO3S/c1-16(2)18-10-12-19(13-11-18)21-20(22)15-25(23,24)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,16H,6,9,14-15H2,1-2H3,(H,21,22)
InChIKeySOBYQEUGXJHXIQ-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.80
Rot. Bonds8

About 2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide

2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 39716958) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID39716958
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CS(=O)(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C20H25NO3S/c1-16(2)18-10-12-19(13-11-18)21-20(22)15-25(23,24)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,16H,6,9,14-15H2,1-2H3,(H,21,22)
InChIKeySOBYQEUGXJHXIQ-UHFFFAOYSA-N
XLogP3.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]butanamide
CID 55687715
2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide
CID 55687459
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide
CID 38955056
3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109030939
2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 38953804
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126246447
2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide
CID 55794751
(3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7324001
N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide
CID 108951690
N-(2-acetamido-5-bromophenyl)-2-(3-phenylpropylsulfonyl)acetamide
CID 60621019
N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
CID 82181831

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide (CID 39716958) is 2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CS(=O)(=O)CCCc2ccccc2)cc1.
What is the InChIKey of 2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is SOBYQEUGXJHXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-16(2)18-10-12-19(13-11-18)21-20(22)15-25(23,24)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,16H,6,9,14-15H2,1-2H3,(H,21,22).
What are the key properties of 2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide?
2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 359.49 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 39716958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).