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

C24H21ClN4O3S2 — CID 100772734

IUPAC2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCc1ccc(N(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H21ClN4O3S2/c1-2-17-8-14-20(15-9-17)29(34(31,32)21-6-4-3-5-7-21)16-22(30)26-24-28-27-23(33-24)18-10-12-19(25)13-11-18/h3-15H,2,16H2,1H3,(H,26,28,30)
InChIKeyQKVZDIRZYFLHLG-UHFFFAOYSA-N
MW513.04 g/mol
LogP5.25
Rot. Bonds8

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

2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 100772734) has the molecular formula C24H21ClN4O3S2 and a molecular weight of 513.04 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID100772734
Molecular FormulaC24H21ClN4O3S2
Molecular Weight513.04 g/mol
Exact Mass512.07
IUPAC Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCc1ccc(N(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H21ClN4O3S2/c1-2-17-8-14-20(15-9-17)29(34(31,32)21-6-4-3-5-7-21)16-22(30)26-24-28-27-23(33-24)18-10-12-19(25)13-11-18/h3-15H,2,16H2,1H3,(H,26,28,30)
InChIKeyQKVZDIRZYFLHLG-UHFFFAOYSA-N
XLogP5.25
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.04
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100693016
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100706275
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100688020
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100546723
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 3996384
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100559440
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100717156
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100691544
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 100502315
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-ethylphenyl)acetamide
CID 3316873
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566899
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100565729

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 100772734) is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide is CCc1ccc(N(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is QKVZDIRZYFLHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3S2/c1-2-17-8-14-20(15-9-17)29(34(31,32)21-6-4-3-5-7-21)16-22(30)26-24-28-27-23(33-24)18-10-12-19(25)13-11-18/h3-15H,2,16H2,1H3,(H,26,28,30).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 513.04 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 100772734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).