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

C24H32FN3O4S — CID 55358316

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESCOc1ccc(C(CNC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)N2CCCC2)cc1
InChIInChI=1S/C24H32FN3O4S/c1-27(33(30,31)22-13-9-20(25)10-14-22)15-5-6-24(29)26-18-23(28-16-3-4-17-28)19-7-11-21(32-2)12-8-19/h7-14,23H,3-6,15-18H2,1-2H3,(H,26,29)
InChIKeyFGWFJORYYJPVRL-UHFFFAOYSA-N
MW477.60 g/mol
LogP3.19
Rot. Bonds11

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

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide (PubChem CID 55358316) has the molecular formula C24H32FN3O4S and a molecular weight of 477.60 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
PubChem CID55358316
Molecular FormulaC24H32FN3O4S
Molecular Weight477.60 g/mol
Exact Mass477.21
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESCOc1ccc(C(CNC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)N2CCCC2)cc1
InChIInChI=1S/C24H32FN3O4S/c1-27(33(30,31)22-13-9-20(25)10-14-22)15-5-6-24(29)26-18-23(28-16-3-4-17-28)19-7-11-21(32-2)12-8-19/h7-14,23H,3-6,15-18H2,1-2H3,(H,26,29)
InChIKeyFGWFJORYYJPVRL-UHFFFAOYSA-N
XLogP3.19
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.60
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623858
2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014584
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 55537197
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119829533
1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 17488224
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea
CID 43016379
(2R)-2-(4-fluorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31140460
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 27771241
3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 42905295
4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-N-methylbenzenesulfonamide
CID 55358521

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide (CID 55358316) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide is COc1ccc(C(CNC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)N2CCCC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
The InChIKey is FGWFJORYYJPVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O4S/c1-27(33(30,31)22-13-9-20(25)10-14-22)15-5-6-24(29)26-18-23(28-16-3-4-17-28)19-7-11-21(32-2)12-8-19/h7-14,23H,3-6,15-18H2,1-2H3,(H,26,29).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide has a molecular weight of 477.60 g/mol, XLogP of 3.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide is sourced from PubChem (CID 55358316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).