3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide

C14H13N3O3S3 — CID 24658577

IUPAC3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2sccc2-n2cccc2)s1
InChIInChI=1S/C14H13N3O3S3/c15-23(19,20)12-4-3-10(22-12)9-16-14(18)13-11(5-8-21-13)17-6-1-2-7-17/h1-8H,9H2,(H,16,18)(H2,15,19,20)
InChIKeyXOGDHDLQXFEWHL-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.18
Rot. Bonds5

About 3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide

3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 24658577) has the molecular formula C14H13N3O3S3 and a molecular weight of 367.48 g/mol. Its IUPAC name is 3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
PubChem CID24658577
Molecular FormulaC14H13N3O3S3
Molecular Weight367.48 g/mol
Exact Mass367.01
IUPAC Name3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2sccc2-n2cccc2)s1
InChIInChI=1S/C14H13N3O3S3/c15-23(19,20)12-4-3-10(22-12)9-16-14(18)13-11(5-8-21-13)17-6-1-2-7-17/h1-8H,9H2,(H,16,18)(H2,15,19,20)
InChIKeyXOGDHDLQXFEWHL-UHFFFAOYSA-N
XLogP2.18
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47246546
3-chloro-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80642639
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 47286704
4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide
CID 65204670
2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242454
2,4-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 47099010
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24625349
2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 62662253
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 66168126
3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455

Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide (CID 24658577) is 3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2sccc2-n2cccc2)s1.
What is the InChIKey of 3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is XOGDHDLQXFEWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S3/c15-23(19,20)12-4-3-10(22-12)9-16-14(18)13-11(5-8-21-13)17-6-1-2-7-17/h1-8H,9H2,(H,16,18)(H2,15,19,20).
What are the key properties of 3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide?
3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 24658577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).