N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide

C14H21N3O3S — CID 71939059

IUPACN-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C14H21N3O3S/c1-11(15-14(18)17-8-3-4-9-17)12-6-5-7-13(10-12)16-21(2,19)20/h5-7,10-11,16H,3-4,8-9H2,1-2H3,(H,15,18)
InChIKeyXBFGUGKNCQKLAV-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.92
Rot. Bonds4

About N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide

N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 71939059) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
PubChem CID71939059
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C14H21N3O3S/c1-11(15-14(18)17-8-3-4-9-17)12-6-5-7-13(10-12)16-21(2,19)20/h5-7,10-11,16H,3-4,8-9H2,1-2H3,(H,15,18)
InChIKeyXBFGUGKNCQKLAV-UHFFFAOYSA-N
XLogP1.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
CID 87003801
N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
CID 115575913
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide
CID 95189601
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
(2S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2-methylhexanamide
CID 100733908
3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 52516223
(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 94179451
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylacetamide
CID 56513297
N-[3-(1-hydroxyethyl)phenyl]piperidine-1-carboxamide
CID 61348004
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
1-cyclohexyl-3-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-prop-2-ynylurea
CID 95241425

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide (CID 71939059) is N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide is CC(NC(=O)N1CCCC1)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is XBFGUGKNCQKLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-11(15-14(18)17-8-3-4-9-17)12-6-5-7-13(10-12)16-21(2,19)20/h5-7,10-11,16H,3-4,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide?
N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71939059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).