3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide

C14H21N3O3S — CID 63139949

IUPAC3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2cccc(S(N)(=O)=O)c2)CCNC1
InChIInChI=1S/C14H21N3O3S/c1-2-14(6-7-16-10-14)13(18)17-9-11-4-3-5-12(8-11)21(15,19)20/h3-5,8,16H,2,6-7,9-10H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeySGTAGKKEJOLJRH-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.34
Rot. Bonds5

About 3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide

3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 63139949) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID63139949
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2cccc(S(N)(=O)=O)c2)CCNC1
InChIInChI=1S/C14H21N3O3S/c1-2-14(6-7-16-10-14)13(18)17-9-11-4-3-5-12(8-11)21(15,19)20/h3-5,8,16H,2,6-7,9-10H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeySGTAGKKEJOLJRH-UHFFFAOYSA-N
XLogP0.34
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 55165134
3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 107218375
3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide
CID 63132301
N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide
CID 63135121
N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166669
N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide
CID 63144041
4-ethyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 63127725
N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141619
3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106384775
N-[(3-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 60857668
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717
3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141479

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide (CID 63139949) is 3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide is CCC1(C(=O)NCc2cccc(S(N)(=O)=O)c2)CCNC1.
What is the InChIKey of 3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is SGTAGKKEJOLJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-14(6-7-16-10-14)13(18)17-9-11-4-3-5-12(8-11)21(15,19)20/h3-5,8,16H,2,6-7,9-10H2,1H3,(H,17,18)(H2,15,19,20).
What are the key properties of 3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide?
3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).