N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide

C11H15FN2O3S — CID 47031214

IUPACN-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)NCCC(=O)NCc1cccc(F)c1
InChIInChI=1S/C11H15FN2O3S/c1-18(16,17)14-6-5-11(15)13-8-9-3-2-4-10(12)7-9/h2-4,7,14H,5-6,8H2,1H3,(H,13,15)
InChIKeyFMOJWJKBFYWMDX-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.38
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide

N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide (PubChem CID 47031214) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide
PubChem CID47031214
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC NameN-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)NCCC(=O)NCc1cccc(F)c1
InChIInChI=1S/C11H15FN2O3S/c1-18(16,17)14-6-5-11(15)13-8-9-3-2-4-10(12)7-9/h2-4,7,14H,5-6,8H2,1H3,(H,13,15)
InChIKeyFMOJWJKBFYWMDX-UHFFFAOYSA-N
XLogP0.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019541
4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
CID 119279529
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763
4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53287826
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]acetamide
CID 53279455
N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide
CID 53279525
3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide
CID 47028254
3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride
CID 163408539
2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 46424834
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide (CID 47031214) is N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide is CS(=O)(=O)NCCC(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide?
The InChIKey is FMOJWJKBFYWMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-18(16,17)14-6-5-11(15)13-8-9-3-2-4-10(12)7-9/h2-4,7,14H,5-6,8H2,1H3,(H,13,15).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide?
N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide has a molecular weight of 274.32 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 47031214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).