N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide

C20H24FNO4S — CID 46451382

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide
SMILESCOc1ccc(C(C)NC(=O)CS(=O)(=O)CCCc2ccccc2)cc1F
InChIInChI=1S/C20H24FNO4S/c1-15(17-10-11-19(26-2)18(21)13-17)22-20(23)14-27(24,25)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15H,6,9,12,14H2,1-2H3,(H,22,23)
InChIKeyPGAFJGNEXFCVBZ-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.06
Rot. Bonds9

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide (PubChem CID 46451382) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide
PubChem CID46451382
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide
SMILESCOc1ccc(C(C)NC(=O)CS(=O)(=O)CCCc2ccccc2)cc1F
InChIInChI=1S/C20H24FNO4S/c1-15(17-10-11-19(26-2)18(21)13-17)22-20(23)14-27(24,25)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15H,6,9,12,14H2,1-2H3,(H,22,23)
InChIKeyPGAFJGNEXFCVBZ-UHFFFAOYSA-N
XLogP3.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 46599158
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 9051417
(2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 94024950
3-(2-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 46674104
2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 17406382
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide (CID 46451382) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide is COc1ccc(C(C)NC(=O)CS(=O)(=O)CCCc2ccccc2)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide?
The InChIKey is PGAFJGNEXFCVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-15(17-10-11-19(26-2)18(21)13-17)22-20(23)14-27(24,25)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15H,6,9,12,14H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide has a molecular weight of 393.48 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide is sourced from PubChem (CID 46451382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).