2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide

C23H19ClN4O3S2 — CID 100693016

IUPAC2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccccc1N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H19ClN4O3S2/c1-16-7-5-6-10-20(16)28(33(30,31)19-8-3-2-4-9-19)15-21(29)25-23-27-26-22(32-23)17-11-13-18(24)14-12-17/h2-14H,15H2,1H3,(H,25,27,29)
InChIKeyMEMVWLKUANMDDS-UHFFFAOYSA-N
MW499.02 g/mol
LogP5.00
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 100693016) has the molecular formula C23H19ClN4O3S2 and a molecular weight of 499.02 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID100693016
Molecular FormulaC23H19ClN4O3S2
Molecular Weight499.02 g/mol
Exact Mass498.06
IUPAC Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccccc1N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H19ClN4O3S2/c1-16-7-5-6-10-20(16)28(33(30,31)19-8-3-2-4-9-19)15-21(29)25-23-27-26-22(32-23)17-11-13-18(24)14-12-17/h2-14H,15H2,1H3,(H,25,27,29)
InChIKeyMEMVWLKUANMDDS-UHFFFAOYSA-N
XLogP5.00
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.02
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide 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

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100546723
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100717156
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100772734
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100691544
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100706275
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100772302
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100526896
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(2-phenylphenyl)acetamide
CID 1265574
2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100766283
2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100672451
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566899
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100688020

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 100693016) is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide is Cc1ccccc1N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MEMVWLKUANMDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S2/c1-16-7-5-6-10-20(16)28(33(30,31)19-8-3-2-4-9-19)15-21(29)25-23-27-26-22(32-23)17-11-13-18(24)14-12-17/h2-14H,15H2,1H3,(H,25,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 499.02 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 100693016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).