N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide

C19H14N4O3S3 — CID 55793963

IUPACN-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H14N4O3S3/c24-17(20-19-22-21-18(28-19)13-6-2-1-3-7-13)14-8-4-9-15(12-14)23-29(25,26)16-10-5-11-27-16/h1-12,23H,(H,20,22,24)
InChIKeyZORVLFINMFNSEL-UHFFFAOYSA-N
MW442.55 g/mol
LogP4.32
Rot. Bonds6

About N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide

N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55793963) has the molecular formula C19H14N4O3S3 and a molecular weight of 442.55 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55793963
Molecular FormulaC19H14N4O3S3
Molecular Weight442.55 g/mol
Exact Mass442.02
IUPAC NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H14N4O3S3/c24-17(20-19-22-21-18(28-19)13-6-2-1-3-7-13)14-8-4-9-15(12-14)23-29(25,26)16-10-5-11-27-16/h1-12,23H,(H,20,22,24)
InChIKeyZORVLFINMFNSEL-UHFFFAOYSA-N
XLogP4.32
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55991234
3-(thiophen-2-ylsulfonylamino)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78897587
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492108
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55846875
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 24649153
N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 2354546
3-[(4-nitrobenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45018627
5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide
CID 56571363
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-[(2-nitrophenyl)sulfonylamino]benzamide
CID 45019416
4-chloro-N-[5-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100645181
N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55914376

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide (CID 55793963) is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide is O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is ZORVLFINMFNSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S3/c24-17(20-19-22-21-18(28-19)13-6-2-1-3-7-13)14-8-4-9-15(12-14)23-29(25,26)16-10-5-11-27-16/h1-12,23H,(H,20,22,24).
What are the key properties of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 442.55 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55793963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).