N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide

C11H15N5O3S — CID 65231546

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C11H15N5O3S/c1-16-6-9(20(12,18)19)4-10(16)11(17)14-3-2-8-5-13-7-15-8/h4-7H,2-3H2,1H3,(H,13,15)(H,14,17)(H2,12,18,19)
InChIKeyAHTIYDNTYBYOQB-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.63
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 65231546) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID65231546
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C11H15N5O3S/c1-16-6-9(20(12,18)19)4-10(16)11(17)14-3-2-8-5-13-7-15-8/h4-7H,2-3H2,1H3,(H,13,15)(H,14,17)(H2,12,18,19)
InChIKeyAHTIYDNTYBYOQB-UHFFFAOYSA-N
XLogP-0.63
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide
CID 10851318
4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 16780234
N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60977535
N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311
N-[(2R)-2-hydroxypropyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 83032455
N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609933
N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 65231406
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 103711873
3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 110697872
3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 103153124
2-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-methylpyridine-4-carboxamide
CID 113379256
4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66119082

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 65231546) is N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide is Cn1cc(S(N)(=O)=O)cc1C(=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is AHTIYDNTYBYOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-16-6-9(20(12,18)19)4-10(16)11(17)14-3-2-8-5-13-7-15-8/h4-7H,2-3H2,1H3,(H,13,15)(H,14,17)(H2,12,18,19).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 297.34 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 65231546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).