2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C12H13N3O3S2 — CID 3163425

IUPAC2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C12H13N3O3S2/c1-8-3-5-10(6-4-8)20(17,18)7-11(16)13-12-15-14-9(2)19-12/h3-6H,7H2,1-2H3,(H,13,15,16)
InChIKeyRJQSHMPMDORDCW-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.57
Rot. Bonds4

About 2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3163425) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3163425
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Name2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C12H13N3O3S2/c1-8-3-5-10(6-4-8)20(17,18)7-11(16)13-12-15-14-9(2)19-12/h3-6H,7H2,1-2H3,(H,13,15,16)
InChIKeyRJQSHMPMDORDCW-UHFFFAOYSA-N
XLogP1.57
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3163425) is 2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is RJQSHMPMDORDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c1-8-3-5-10(6-4-8)20(17,18)7-11(16)13-12-15-14-9(2)19-12/h3-6H,7H2,1-2H3,(H,13,15,16).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 311.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3163425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).