N-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide

C15H20FN3O4S — CID 56872931

IUPACN-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
SMILESCN(CCC(N)=O)C(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FN3O4S/c1-18(10-8-14(17)20)15(21)13-3-2-9-19(13)24(22,23)12-6-4-11(16)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H2,17,20)
InChIKeyQAROIAKLFHLSLA-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.31
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide

N-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide (PubChem CID 56872931) has the molecular formula C15H20FN3O4S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
PubChem CID56872931
Molecular FormulaC15H20FN3O4S
Molecular Weight357.41 g/mol
Exact Mass357.12
IUPAC NameN-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
SMILESCN(CCC(N)=O)C(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FN3O4S/c1-18(10-8-14(17)20)15(21)13-3-2-9-19(13)24(22,23)12-6-4-11(16)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H2,17,20)
InChIKeyQAROIAKLFHLSLA-UHFFFAOYSA-N
XLogP0.31
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N~1~-cyclopentyl-N~2~-(phenylsulfonyl)alaninamide
CID 2957593
4-fluoro-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 900413
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
N-cyclopentyl-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2985558
N-ethyl-4-fluoro-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 2985941
(S)-N-butyl-3-((S)-2-(4-fluorophenylsulfonamido)-3-methylbutanamido)-5-methyl-2-oxohexanamide
CID 9956417
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide
CID 799512
Cambridge id 6458207
CID 2284358
Bes-Val-Pro-Val-CF3
CID 73350319
(2S)-N-[(1S)-3-amino-1-cyano-3-oxopropyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 127039395
N-(butan-2-yl)-1-[(4-fluorophenyl)sulfonyl]piperidine-2-carboxamide
CID 6619154
2,4-difluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2409018

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide (CID 56872931) is N-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide is CN(CCC(N)=O)C(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
The InChIKey is QAROIAKLFHLSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4S/c1-18(10-8-14(17)20)15(21)13-3-2-9-19(13)24(22,23)12-6-4-11(16)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H2,17,20).
What are the key properties of N-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
N-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56872931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).