5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide

C18H13N3O3S3 — CID 4586039

IUPAC5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1
InChIInChI=1S/C18H13N3O3S3/c19-27(23,24)12-7-5-11(6-8-12)20-17(22)15-9-10-16(25-15)18-21-13-3-1-2-4-14(13)26-18/h1-10H,(H,20,22)(H2,19,23,24)
InChIKeyVUPLAPJNLVTRMM-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.92
Rot. Bonds4

About 5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide (PubChem CID 4586039) has the molecular formula C18H13N3O3S3 and a molecular weight of 415.52 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
PubChem CID4586039
Molecular FormulaC18H13N3O3S3
Molecular Weight415.52 g/mol
Exact Mass415.01
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1
InChIInChI=1S/C18H13N3O3S3/c19-27(23,24)12-7-5-11(6-8-12)20-17(22)15-9-10-16(25-15)18-21-13-3-1-2-4-14(13)26-18/h1-10H,(H,20,22)(H2,19,23,24)
InChIKeyVUPLAPJNLVTRMM-UHFFFAOYSA-N
XLogP3.92
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5102836
5-(1,3-benzothiazol-2-yl)-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]thiophene-2-carboxamide
CID 60557891
5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
CID 25486926
N-(5-acetamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 46463651
5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 4731587
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)thiophene-2-carboxamide
CID 4731603
5-(1,3-benzothiazol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]thiophene-2-carboxamide
CID 55855134
[2-(4-bromoanilino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 167928208
[2-(4-methylanilino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2441014
5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5147677
5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 36865757
5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide
CID 33453322

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide (CID 4586039) is 5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide?
The InChIKey is VUPLAPJNLVTRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S3/c19-27(23,24)12-7-5-11(6-8-12)20-17(22)15-9-10-16(25-15)18-21-13-3-1-2-4-14(13)26-18/h1-10H,(H,20,22)(H2,19,23,24).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 4586039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).