4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide

C18H21FN2O3S — CID 39753065

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide
SMILESCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H21FN2O3S/c1-20(25(23,24)17-12-10-15(19)11-13-17)14-6-9-18(22)21(2)16-7-4-3-5-8-16/h3-5,7-8,10-13H,6,9,14H2,1-2H3
InChIKeyCEOMNXCIMSFQAC-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.89
Rot. Bonds7

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide (PubChem CID 39753065) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide
PubChem CID39753065
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide
SMILESCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H21FN2O3S/c1-20(25(23,24)17-12-10-15(19)11-13-17)14-6-9-18(22)21(2)16-7-4-3-5-8-16/h3-5,7-8,10-13H,6,9,14H2,1-2H3
InChIKeyCEOMNXCIMSFQAC-UHFFFAOYSA-N
XLogP2.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-phenylbutanamide
CID 55363261
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)butanamide
CID 51188184
2-[butan-2-yl-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]amino]acetic acid
CID 119954928
N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 55592039
[4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate
CID 90862330
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide
CID 119430306
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide
CID 30232749
N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylbutanamide
CID 31734194
N-(3-aminopropyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide;hydrochloride
CID 119405561
4-fluoro-N-methyl-N-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]benzenesulfonamide
CID 55358304
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate
CID 30800283
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide
CID 51115692

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide (CID 39753065) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide is CN(C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide?
The InChIKey is CEOMNXCIMSFQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-20(25(23,24)17-12-10-15(19)11-13-17)14-6-9-18(22)21(2)16-7-4-3-5-8-16/h3-5,7-8,10-13H,6,9,14H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide has a molecular weight of 364.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide is sourced from PubChem (CID 39753065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).