N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide

C19H22FNO3S — CID 39293355

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide
SMILESCc1cc(CNC(=O)CS(=O)(=O)CCCc2ccccc2)ccc1F
InChIInChI=1S/C19H22FNO3S/c1-15-12-17(9-10-18(15)20)13-21-19(22)14-25(23,24)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H,21,22)
InChIKeyHBGHHRAPXKFQSV-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.80
Rot. Bonds8

About N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide (PubChem CID 39293355) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide
PubChem CID39293355
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide
SMILESCc1cc(CNC(=O)CS(=O)(=O)CCCc2ccccc2)ccc1F
InChIInChI=1S/C19H22FNO3S/c1-15-12-17(9-10-18(15)20)13-21-19(22)14-25(23,24)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H,21,22)
InChIKeyHBGHHRAPXKFQSV-UHFFFAOYSA-N
XLogP2.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide
CID 38955056
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
1-(3-benzylsulfonylpropyl)-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111853713
N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine
CID 60705049
5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075
N-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide
CID 78876668
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110024507
N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 78878440
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 33304679
1-[3-(benzenesulfonyl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine
CID 111853032
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933520

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide (CID 39293355) is N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide is Cc1cc(CNC(=O)CS(=O)(=O)CCCc2ccccc2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide?
The InChIKey is HBGHHRAPXKFQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-15-12-17(9-10-18(15)20)13-21-19(22)14-25(23,24)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H,21,22).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide has a molecular weight of 363.45 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide is sourced from PubChem (CID 39293355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).