N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

C25H24N4O4S — CID 92872093

About N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 92872093) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 92872093
• Molecular Formula: C25H24N4O4S
• Molecular Weight: 476.56 g/mol
• Exact Mass: 476.15
• IUPAC Name: N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
• SMILES: Cc1cccc(OCc2nnc(C(=O)Nc3ccc(C(=O)N[C@@H](C)Cc4ccco4)cc3)s2)c1
• InChI: InChI=1S/C25H24N4O4S/c1-16-5-3-6-20(13-16)33-15-22-28-29-25(34-22)24(31)27-19-10-8-18(9-11-19)23(30)26-17(2)14-21-7-4-12-32-21/h3-13,17H,14-15H2,1-2H3,(H,26,30)(H,27,31)/t17-/m0/s1
• InChIKey: UFUKLEFJNLYSTN-KRWDZBQOSA-N
• XLogP: 4.63
• TPSA: 106.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.56
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 92872093) is N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide is Cc1cccc(OCc2nnc(C(=O)Nc3ccc(C(=O)N[C@@H](C)Cc4ccco4)cc3)s2)c1.

What is the InChIKey of N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is UFUKLEFJNLYSTN-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-16-5-3-6-20(13-16)33-15-22-28-29-25(34-22)24(31)27-19-10-8-18(9-11-19)23(30)26-17(2)14-21-7-4-12-32-21/h3-13,17H,14-15H2,1-2H3,(H,26,30)(H,27,31)/t17-/m0/s1.

What are the key properties of N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide?

N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 92872093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).