3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C15H19N3O3S — CID 110685191

IUPAC3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCc2ccc[nH]2)cc1
InChIInChI=1S/C15H19N3O3S/c16-22(20,21)14-6-3-12(4-7-14)9-11-18-15(19)8-5-13-2-1-10-17-13/h1-4,6-7,10,17H,5,8-9,11H2,(H,18,19)(H2,16,20,21)
InChIKeyAYISIJGTAIDZBX-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.95
Rot. Bonds7

About 3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 110685191) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID110685191
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCc2ccc[nH]2)cc1
InChIInChI=1S/C15H19N3O3S/c16-22(20,21)14-6-3-12(4-7-14)9-11-18-15(19)8-5-13-2-1-10-17-13/h1-4,6-7,10,17H,5,8-9,11H2,(H,18,19)(H2,16,20,21)
InChIKeyAYISIJGTAIDZBX-UHFFFAOYSA-N
XLogP0.95
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 110697872
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
4-(diaminomethylideneamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 118707446
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
3-chloro-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115162633
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 55482671
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 110685191) is 3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is NS(=O)(=O)c1ccc(CCNC(=O)CCc2ccc[nH]2)cc1.
What is the InChIKey of 3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is AYISIJGTAIDZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c16-22(20,21)14-6-3-12(4-7-14)9-11-18-15(19)8-5-13-2-1-10-17-13/h1-4,6-7,10,17H,5,8-9,11H2,(H,18,19)(H2,16,20,21).
What are the key properties of 3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 321.40 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 110685191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).