3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide

C13H20N4O3S — CID 63139750

IUPAC3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cccc(NS(N)(=O)=O)c2)CCNC1
InChIInChI=1S/C13H20N4O3S/c1-2-13(6-7-15-9-13)12(18)16-10-4-3-5-11(8-10)17-21(14,19)20/h3-5,8,15,17H,2,6-7,9H2,1H3,(H,16,18)(H2,14,19,20)
InChIKeyQPAZRKFULRUERZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.63
Rot. Bonds5

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

3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63139750) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide
PubChem CID63139750
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cccc(NS(N)(=O)=O)c2)CCNC1
InChIInChI=1S/C13H20N4O3S/c1-2-13(6-7-15-9-13)12(18)16-10-4-3-5-11(8-10)17-21(14,19)20/h3-5,8,15,17H,2,6-7,9H2,1H3,(H,16,18)(H2,14,19,20)
InChIKeyQPAZRKFULRUERZ-UHFFFAOYSA-N
XLogP0.63
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide
CID 63132301
1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide
CID 115447728
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131356
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 64782595
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid
CID 65350521
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
3-ethyl-N-quinoxalin-6-ylpyrrolidine-3-carboxamide
CID 63140174
3-ethyl-N-quinolin-6-ylpyrrolidine-3-carboxamide
CID 63141954
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide (CID 63139750) is 3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide is CCC1(C(=O)Nc2cccc(NS(N)(=O)=O)c2)CCNC1.
What is the InChIKey of 3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is QPAZRKFULRUERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-2-13(6-7-15-9-13)12(18)16-10-4-3-5-11(8-10)17-21(14,19)20/h3-5,8,15,17H,2,6-7,9H2,1H3,(H,16,18)(H2,14,19,20).
What are the key properties of 3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide?
3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.63, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).