4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide

C20H25FN4O3S — CID 32948870

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
SMILESCN(CCCC(=O)Nc1ccc(N2CCCC2)cn1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H25FN4O3S/c1-24(29(27,28)18-9-6-16(21)7-10-18)12-4-5-20(26)23-19-11-8-17(15-22-19)25-13-2-3-14-25/h6-11,15H,2-5,12-14H2,1H3,(H,22,23,26)
InChIKeyOCNHBVIMGHJEKB-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.86
Rot. Bonds8

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide (PubChem CID 32948870) has the molecular formula C20H25FN4O3S and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
PubChem CID32948870
Molecular FormulaC20H25FN4O3S
Molecular Weight420.51 g/mol
Exact Mass420.16
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
SMILESCN(CCCC(=O)Nc1ccc(N2CCCC2)cn1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H25FN4O3S/c1-24(29(27,28)18-9-6-16(21)7-10-18)12-4-5-20(26)23-19-11-8-17(15-22-19)25-13-2-3-14-25/h6-11,15H,2-5,12-14H2,1H3,(H,22,23,26)
InChIKeyOCNHBVIMGHJEKB-UHFFFAOYSA-N
XLogP2.86
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
CID 16602917
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 37121741
4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 32948152
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide
CID 17446943
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362
N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30854882
4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-N-methylbenzenesulfonamide
CID 55358521
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide
CID 55878929
1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 113028878

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide (CID 32948870) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide is CN(CCCC(=O)Nc1ccc(N2CCCC2)cn1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide?
The InChIKey is OCNHBVIMGHJEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3S/c1-24(29(27,28)18-9-6-16(21)7-10-18)12-4-5-20(26)23-19-11-8-17(15-22-19)25-13-2-3-14-25/h6-11,15H,2-5,12-14H2,1H3,(H,22,23,26).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide has a molecular weight of 420.51 g/mol, XLogP of 2.86, 8 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-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide is sourced from PubChem (CID 32948870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).