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

C24H22N4O4S2 — CID 100566899

IUPAC2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1cccc(N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H22N4O4S2/c1-17-11-13-18(14-12-17)23-26-27-24(33-23)25-22(29)16-28(19-7-6-8-20(15-19)32-2)34(30,31)21-9-4-3-5-10-21/h3-15H,16H2,1-2H3,(H,25,27,29)
InChIKeyULWXXFXXMZBKMZ-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.36
Rot. Bonds8

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

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 100566899) has the molecular formula C24H22N4O4S2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID100566899
Molecular FormulaC24H22N4O4S2
Molecular Weight494.60 g/mol
Exact Mass494.11
IUPAC Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1cccc(N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H22N4O4S2/c1-17-11-13-18(14-12-17)23-26-27-24(33-23)25-22(29)16-28(19-7-6-8-20(15-19)32-2)34(30,31)21-9-4-3-5-10-21/h3-15H,16H2,1-2H3,(H,25,27,29)
InChIKeyULWXXFXXMZBKMZ-UHFFFAOYSA-N
XLogP4.36
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100688020
methyl 2-[[5-[[2-[N-(benzenesulfonyl)-3-methoxyanilino]acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 100544461
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100759342
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100758095
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3,5-dimethylphenyl)acetamide
CID 998295
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100546723
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92682371
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100526896
2-(N-methylsulfonyl-3-propan-2-yloxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100589451
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43885385
2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100766283
N-(2,4-dimethylphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139283

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 100566899) is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is COc1cccc(N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is ULWXXFXXMZBKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S2/c1-17-11-13-18(14-12-17)23-26-27-24(33-23)25-22(29)16-28(19-7-6-8-20(15-19)32-2)34(30,31)21-9-4-3-5-10-21/h3-15H,16H2,1-2H3,(H,25,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 494.60 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 100566899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).