N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide

C19H18N4O3S2 — CID 24647505

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3nnc(C4CC4)s3)c2)cc1
InChIInChI=1S/C19H18N4O3S2/c1-12-5-9-15(10-6-12)23-28(25,26)16-4-2-3-14(11-16)17(24)20-19-22-21-18(27-19)13-7-8-13/h2-6,9-11,13,23H,7-8H2,1H3,(H,20,22,24)
InChIKeyYDBCZJXKAZYONS-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.78
Rot. Bonds6

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 24647505) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID24647505
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3nnc(C4CC4)s3)c2)cc1
InChIInChI=1S/C19H18N4O3S2/c1-12-5-9-15(10-6-12)23-28(25,26)16-4-2-3-14(11-16)17(24)20-19-22-21-18(27-19)13-7-8-13/h2-6,9-11,13,23H,7-8H2,1H3,(H,20,22,24)
InChIKeyYDBCZJXKAZYONS-UHFFFAOYSA-N
XLogP3.78
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-nitrophenyl)sulfamoyl]benzamide
CID 4626175
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 27296965
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42940880
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 2370286
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24564520
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164433
N-[(1R,2S)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164435
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 16572020
4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78770285

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 24647505) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3nnc(C4CC4)s3)c2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is YDBCZJXKAZYONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-12-5-9-15(10-6-12)23-28(25,26)16-4-2-3-14(11-16)17(24)20-19-22-21-18(27-19)13-7-8-13/h2-6,9-11,13,23H,7-8H2,1H3,(H,20,22,24).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 414.51 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24647505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).