3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide

C19H23FN2O4S — CID 60544467

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NC(C)c2ccccc2NS(C)(=O)=O)cc1F
InChIInChI=1S/C19H23FN2O4S/c1-13(15-6-4-5-7-17(15)22-27(3,24)25)21-19(23)11-9-14-8-10-18(26-2)16(20)12-14/h4-8,10,12-13,22H,9,11H2,1-3H3,(H,21,23)
InChIKeyIGQWWJKOXNCVFG-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.02
Rot. Bonds8

About 3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide

3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide (PubChem CID 60544467) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
PubChem CID60544467
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NC(C)c2ccccc2NS(C)(=O)=O)cc1F
InChIInChI=1S/C19H23FN2O4S/c1-13(15-6-4-5-7-17(15)22-27(3,24)25)21-19(23)11-9-14-8-10-18(26-2)16(20)12-14/h4-8,10,12-13,22H,9,11H2,1-3H3,(H,21,23)
InChIKeyIGQWWJKOXNCVFG-UHFFFAOYSA-N
XLogP3.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133160279
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 55934358
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 42999118
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 43873798
3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 28557375
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51315396
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 43873806
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 9478271
3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide
CID 134055920
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 112764247
2-(3-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9264320

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide (CID 60544467) is 3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide is COc1ccc(CCC(=O)NC(C)c2ccccc2NS(C)(=O)=O)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide?
The InChIKey is IGQWWJKOXNCVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-13(15-6-4-5-7-17(15)22-27(3,24)25)21-19(23)11-9-14-8-10-18(26-2)16(20)12-14/h4-8,10,12-13,22H,9,11H2,1-3H3,(H,21,23).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide?
3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide has a molecular weight of 394.47 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide is sourced from PubChem (CID 60544467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).