N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide

C18H19N3O4S2 — CID 55370357

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)NC3=NCCS3)ccc2C)cc1
InChIInChI=1S/C18H19N3O4S2/c1-12-3-4-13(17(22)20-18-19-9-10-26-18)11-16(12)27(23,24)21-14-5-7-15(25-2)8-6-14/h3-8,11,21H,9-10H2,1-2H3,(H,19,20,22)
InChIKeyGWWLSIITDQWAPN-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.64
Rot. Bonds5

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 55370357) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID55370357
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)NC3=NCCS3)ccc2C)cc1
InChIInChI=1S/C18H19N3O4S2/c1-12-3-4-13(17(22)20-18-19-9-10-26-18)11-16(12)27(23,24)21-14-5-7-15(25-2)8-6-14/h3-8,11,21H,9-10H2,1-2H3,(H,19,20,22)
InChIKeyGWWLSIITDQWAPN-UHFFFAOYSA-N
XLogP2.64
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295696
N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide
CID 55869067
N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 9413965
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 30451320
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 100560370
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136
6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide
CID 26642328
N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 55979786
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126415722
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 35743328

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide (CID 55370357) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)NC3=NCCS3)ccc2C)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is GWWLSIITDQWAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-12-3-4-13(17(22)20-18-19-9-10-26-18)11-16(12)27(23,24)21-14-5-7-15(25-2)8-6-14/h3-8,11,21H,9-10H2,1-2H3,(H,19,20,22).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 405.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 55370357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).