3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide

C16H19ClN4O3S2 — CID 30279749

IUPAC3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2nnc(C3CC3)s2)ccc1Cl
InChIInChI=1S/C16H19ClN4O3S2/c1-16(2,3)21-26(23,24)12-8-10(6-7-11(12)17)13(22)18-15-20-19-14(25-15)9-4-5-9/h6-9,21H,4-5H2,1-3H3,(H,18,20,22)
InChIKeyQPAHXILIMDRALY-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.40
Rot. Bonds5

About 3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide

3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 30279749) has the molecular formula C16H19ClN4O3S2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID30279749
Molecular FormulaC16H19ClN4O3S2
Molecular Weight414.94 g/mol
Exact Mass414.06
IUPAC Name3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2nnc(C3CC3)s2)ccc1Cl
InChIInChI=1S/C16H19ClN4O3S2/c1-16(2,3)21-26(23,24)12-8-10(6-7-11(12)17)13(22)18-15-20-19-14(25-15)9-4-5-9/h6-9,21H,4-5H2,1-3H3,(H,18,20,22)
InChIKeyQPAHXILIMDRALY-UHFFFAOYSA-N
XLogP3.40
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 25493625
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8503021
3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide
CID 46584819
4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78770285
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide
CID 18189556
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55954261
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 735968
3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide
CID 35344934
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2119551
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide
CID 29411913
4-bromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
CID 8502998
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24647505

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide (CID 30279749) is 3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide is CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2nnc(C3CC3)s2)ccc1Cl.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is QPAHXILIMDRALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S2/c1-16(2,3)21-26(23,24)12-8-10(6-7-11(12)17)13(22)18-15-20-19-14(25-15)9-4-5-9/h6-9,21H,4-5H2,1-3H3,(H,18,20,22).
What are the key properties of 3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide?
3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 414.94 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 30279749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).