4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide

C21H27FN2O4S — CID 46447025

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide
SMILESCCC(NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1OC
InChIInChI=1S/C21H27FN2O4S/c1-4-19(18-8-5-6-9-20(18)28-3)23-21(25)10-7-15-24(2)29(26,27)17-13-11-16(22)12-14-17/h5-6,8-9,11-14,19H,4,7,10,15H2,1-3H3,(H,23,25)
InChIKeyPHTQOOFIQXSXLU-UHFFFAOYSA-N
MW422.52 g/mol
LogP3.50
Rot. Bonds10

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide (PubChem CID 46447025) has the molecular formula C21H27FN2O4S and a molecular weight of 422.52 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide
PubChem CID46447025
Molecular FormulaC21H27FN2O4S
Molecular Weight422.52 g/mol
Exact Mass422.17
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide
SMILESCCC(NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1OC
InChIInChI=1S/C21H27FN2O4S/c1-4-19(18-8-5-6-9-20(18)28-3)23-21(25)10-7-15-24(2)29(26,27)17-13-11-16(22)12-14-17/h5-6,8-9,11-14,19H,4,7,10,15H2,1-3H3,(H,23,25)
InChIKeyPHTQOOFIQXSXLU-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 55371906
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46655665
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 27901858
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 16572198
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100570202
2-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]acetic acid
CID 119213131
(E)-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]hex-4-enoic acid
CID 120692865
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide
CID 18206824
4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide
CID 132654297
4-[(9,10-dioxoanthracen-2-yl)sulfonyl-methylamino]-N-(2-methoxyphenyl)butanamide
CID 18593158
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)butanamide
CID 51188184

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide (CID 46447025) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide is CCC(NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1OC.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide?
The InChIKey is PHTQOOFIQXSXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O4S/c1-4-19(18-8-5-6-9-20(18)28-3)23-21(25)10-7-15-24(2)29(26,27)17-13-11-16(22)12-14-17/h5-6,8-9,11-14,19H,4,7,10,15H2,1-3H3,(H,23,25).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide has a molecular weight of 422.52 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 46447025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).