N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide

C24H22N4O3S — CID 1452336

About N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide

N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide (PubChem CID 1452336) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
• PubChem CID: 1452336
• Molecular Formula: C24H22N4O3S
• Molecular Weight: 446.53 g/mol
• Exact Mass: 446.14
• IUPAC Name: N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
• SMILES: Cc1cc(C)cc(N(C(=O)c2csnn2)[C@H](C(=O)NCc2ccccc2)c2ccco2)c1
• InChI: InChI=1S/C24H22N4O3S/c1-16-11-17(2)13-19(12-16)28(24(30)20-15-32-27-26-20)22(21-9-6-10-31-21)23(29)25-14-18-7-4-3-5-8-18/h3-13,15,22H,14H2,1-2H3,(H,25,29)/t22-/m0/s1
• InChIKey: AWBHJTAAWQWXPI-QFIPXVFZSA-N
• XLogP: 4.45
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.53
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide?

The IUPAC name of N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide (CID 1452336) is N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide.

What is the SMILES notation for N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide?

The canonical SMILES for N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide is Cc1cc(C)cc(N(C(=O)c2csnn2)[C@H](C(=O)NCc2ccccc2)c2ccco2)c1.

What is the InChIKey of N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide?

The InChIKey is AWBHJTAAWQWXPI-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-16-11-17(2)13-19(12-16)28(24(30)20-15-32-27-26-20)22(21-9-6-10-31-21)23(29)25-14-18-7-4-3-5-8-18/h3-13,15,22H,14H2,1-2H3,(H,25,29)/t22-/m0/s1.

What are the key properties of N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide?

N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 1452336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).