2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C24H22N4O5S2 — CID 100526896

IUPAC2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccccc3)s2)c2ccccc2OC)cc1
InChIInChI=1S/C24H22N4O5S2/c1-32-18-12-14-19(15-13-18)35(30,31)28(20-10-6-7-11-21(20)33-2)16-22(29)25-24-27-26-23(34-24)17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,25,27,29)
InChIKeyVSYSKNAQBBJLMJ-UHFFFAOYSA-N
MW510.60 g/mol
LogP4.06
Rot. Bonds9

About 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 100526896) has the molecular formula C24H22N4O5S2 and a molecular weight of 510.60 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID100526896
Molecular FormulaC24H22N4O5S2
Molecular Weight510.60 g/mol
Exact Mass510.10
IUPAC Name2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccccc3)s2)c2ccccc2OC)cc1
InChIInChI=1S/C24H22N4O5S2/c1-32-18-12-14-19(15-13-18)35(30,31)28(20-10-6-7-11-21(20)33-2)16-22(29)25-24-27-26-23(34-24)17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,25,27,29)
InChIKeyVSYSKNAQBBJLMJ-UHFFFAOYSA-N
XLogP4.06
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100691544
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100758095
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100772302
2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100766283
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide
CID 1310802
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100717156
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-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566899
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide
CID 53280467
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100610718
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100693016

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 100526896) is 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccccc3)s2)c2ccccc2OC)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VSYSKNAQBBJLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S2/c1-32-18-12-14-19(15-13-18)35(30,31)28(20-10-6-7-11-21(20)33-2)16-22(29)25-24-27-26-23(34-24)17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,25,27,29).
What are the key properties of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 510.60 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 100526896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).