1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide

C13H17N3O3S2 — CID 60976637

IUPAC1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)s2)n1C
InChIInChI=1S/C13H17N3O3S2/c1-9-3-5-11(16(9)2)13(17)15-8-7-10-4-6-12(20-10)21(14,18)19/h3-6H,7-8H2,1-2H3,(H,15,17)(H2,14,18,19)
InChIKeyWNBLIYRRQQLQRN-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.01
Rot. Bonds5

About 1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide

1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 60976637) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide
PubChem CID60976637
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)s2)n1C
InChIInChI=1S/C13H17N3O3S2/c1-9-3-5-11(16(9)2)13(17)15-8-7-10-4-6-12(20-10)21(14,18)19/h3-6H,7-8H2,1-2H3,(H,15,17)(H2,14,18,19)
InChIKeyWNBLIYRRQQLQRN-UHFFFAOYSA-N
XLogP1.01
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]furan-3-carboxamide
CID 114822706
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246441
4-hydroxy-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 61128277
2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 79884277
4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246453
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133898
2-acetamido-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 61128464
3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide
CID 61128280
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 47286704
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 113224273
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 107519551
2-oxo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide
CID 61129579

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide (CID 60976637) is 1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide is Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)s2)n1C.
What is the InChIKey of 1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is WNBLIYRRQQLQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-9-3-5-11(16(9)2)13(17)15-8-7-10-4-6-12(20-10)21(14,18)19/h3-6H,7-8H2,1-2H3,(H,15,17)(H2,14,18,19).
What are the key properties of 1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide?
1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 60976637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).