4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

C18H13N3O3S4 — CID 55376558

IUPAC4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H13N3O3S4/c22-17(20-18-19-14(11-27-18)15-3-1-9-25-15)12-5-7-13(8-6-12)21-28(23,24)16-4-2-10-26-16/h1-11,21H,(H,19,20,22)
InChIKeyRJDQBQSJCAMQKB-UHFFFAOYSA-N
MW447.59 g/mol
LogP4.99
Rot. Bonds6

About 4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 55376558) has the molecular formula C18H13N3O3S4 and a molecular weight of 447.59 g/mol. Its IUPAC name is 4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID55376558
Molecular FormulaC18H13N3O3S4
Molecular Weight447.59 g/mol
Exact Mass446.98
IUPAC Name4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H13N3O3S4/c22-17(20-18-19-14(11-27-18)15-3-1-9-25-15)12-5-7-13(8-6-12)21-28(23,24)16-4-2-10-26-16/h1-11,21H,(H,19,20,22)
InChIKeyRJDQBQSJCAMQKB-UHFFFAOYSA-N
XLogP4.99
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 8603530
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 25046956
N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24611260
4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 7579191
4-[bis(2-chloroethyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 86809667
6-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 51260316
N-[4-(1,3-thiazol-2-yl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24648839
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 31845736
N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 5058907
N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide
CID 155557473
4-(tetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 51149957
N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24570119

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 55376558) is 4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2cccs2)cs1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is RJDQBQSJCAMQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S4/c22-17(20-18-19-14(11-27-18)15-3-1-9-25-15)12-5-7-13(8-6-12)21-28(23,24)16-4-2-10-26-16/h1-11,21H,(H,19,20,22).
What are the key properties of 4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 447.59 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 55376558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).