N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide

C20H22N4O4S2 — CID 55953228

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nnc(C(C)(C)C)s3)cc2)cc1
InChIInChI=1S/C20H22N4O4S2/c1-20(2,3)18-22-23-19(29-18)21-17(25)13-5-11-16(12-6-13)30(26,27)24-14-7-9-15(28-4)10-8-14/h5-12,24H,1-4H3,(H,21,23,25)
InChIKeyGAHSHQKOMRWNBN-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.90
Rot. Bonds6

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 55953228) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID55953228
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nnc(C(C)(C)C)s3)cc2)cc1
InChIInChI=1S/C20H22N4O4S2/c1-20(2,3)18-22-23-19(29-18)21-17(25)13-5-11-16(12-6-13)30(26,27)24-14-7-9-15(28-4)10-8-14/h5-12,24H,1-4H3,(H,21,23,25)
InChIKeyGAHSHQKOMRWNBN-UHFFFAOYSA-N
XLogP3.90
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide with MolForge

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Related Compounds

4-[(4-methoxyphenyl)sulfamoyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 24611794
4-[(4-methoxyphenyl)sulfamoyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 24575372
4-[(4-methoxyphenyl)sulfonylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 121045218
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
N-(4-bromo-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045467
4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 55978390
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045199
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
N-(4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 25400706

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 55953228) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nnc(C(C)(C)C)s3)cc2)cc1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is GAHSHQKOMRWNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-20(2,3)18-22-23-19(29-18)21-17(25)13-5-11-16(12-6-13)30(26,27)24-14-7-9-15(28-4)10-8-14/h5-12,24H,1-4H3,(H,21,23,25).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 446.55 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55953228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).