N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide

C17H17F2NO3S — CID 38955056

IUPACN-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO3S/c18-15-9-8-14(11-16(15)19)20-17(21)12-24(22,23)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,20,21)
InChIKeyDFFLFHVQTJJOAK-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.95
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide

N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide (PubChem CID 38955056) has the molecular formula C17H17F2NO3S and a molecular weight of 353.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide
PubChem CID38955056
Molecular FormulaC17H17F2NO3S
Molecular Weight353.39 g/mol
Exact Mass353.09
IUPAC NameN-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO3S/c18-15-9-8-14(11-16(15)19)20-17(21)12-24(22,23)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,20,21)
InChIKeyDFFLFHVQTJJOAK-UHFFFAOYSA-N
XLogP2.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.95
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
2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide
CID 39716958
N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide
CID 108951290
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 28543265
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide
CID 39293355
N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 110285381
2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 38953804
N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55687145
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(2-acetamido-5-bromophenyl)-2-(3-phenylpropylsulfonyl)acetamide
CID 60621019
3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 109031875

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide (CID 38955056) is N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide is O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide?
The InChIKey is DFFLFHVQTJJOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3S/c18-15-9-8-14(11-16(15)19)20-17(21)12-24(22,23)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide?
N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide has a molecular weight of 353.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide is sourced from PubChem (CID 38955056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).