N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide

C22H26N4O3S — CID 3221918

About N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide

N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide (PubChem CID 3221918) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide
• PubChem CID: 3221918
• Molecular Formula: C22H26N4O3S
• Molecular Weight: 426.54 g/mol
• Exact Mass: 426.17
• IUPAC Name: N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide
• SMILES: CCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1csnn1)c1ccc(C)c(C)c1
• InChI: InChI=1S/C22H26N4O3S/c1-6-22(4,5)23-20(27)19(18-8-7-11-29-18)26(21(28)17-13-30-25-24-17)16-10-9-14(2)15(3)12-16/h7-13,19H,6H2,1-5H3,(H,23,27)
• InChIKey: FWWLFVIWUUIBOT-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.54
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide?

The IUPAC name of N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide (CID 3221918) is N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide.

What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide?

The canonical SMILES for N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide is CCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1csnn1)c1ccc(C)c(C)c1.

What is the InChIKey of N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide?

The InChIKey is FWWLFVIWUUIBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-6-22(4,5)23-20(27)19(18-8-7-11-29-18)26(21(28)17-13-30-25-24-17)16-10-9-14(2)15(3)12-16/h7-13,19H,6H2,1-5H3,(H,23,27).

What are the key properties of N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide?

N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3221918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).