3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C14H18N4O3S — CID 110697872

IUPAC3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCc2cnc[nH]2)cc1
InChIInChI=1S/C14H18N4O3S/c15-22(20,21)13-4-1-11(2-5-13)7-8-17-14(19)6-3-12-9-16-10-18-12/h1-2,4-5,9-10H,3,6-8H2,(H,16,18)(H,17,19)(H2,15,20,21)
InChIKeyIZXAKUUYSASINB-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.35
Rot. Bonds7

About 3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 110697872) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID110697872
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCc2cnc[nH]2)cc1
InChIInChI=1S/C14H18N4O3S/c15-22(20,21)13-4-1-11(2-5-13)7-8-17-14(19)6-3-12-9-16-10-18-12/h1-2,4-5,9-10H,3,6-8H2,(H,16,18)(H,17,19)(H2,15,20,21)
InChIKeyIZXAKUUYSASINB-UHFFFAOYSA-N
XLogP0.35
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 110685191
N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide
CID 10851318
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
N-[2-(4-sulfamoylphenyl)ethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388591
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
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-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
4-(diaminomethylideneamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 118707446

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 110697872) is 3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is NS(=O)(=O)c1ccc(CCNC(=O)CCc2cnc[nH]2)cc1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is IZXAKUUYSASINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c15-22(20,21)13-4-1-11(2-5-13)7-8-17-14(19)6-3-12-9-16-10-18-12/h1-2,4-5,9-10H,3,6-8H2,(H,16,18)(H,17,19)(H2,15,20,21).
What are the key properties of 3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 322.39 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 110697872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).