N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C24H23N3O3S2 — CID 31684932

About N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 31684932) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
• PubChem CID: 31684932
• Molecular Formula: C24H23N3O3S2
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.12
• IUPAC Name: N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
• SMILES: Cc1nc(-c2ccc(CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)s2)cs1
• InChI: InChI=1S/C24H23N3O3S2/c1-16-26-20(15-31-16)22-10-9-18(32-22)11-12-25-23(28)19(14-17-6-3-2-4-7-17)27-24(29)21-8-5-13-30-21/h2-10,13,15,19H,11-12,14H2,1H3,(H,25,28)(H,27,29)/t19-/m0/s1
• InChIKey: DHUPWULGOALWFT-IBGZPJMESA-N
• XLogP: 4.47
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 31684932) is N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is Cc1nc(-c2ccc(CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)s2)cs1.

What is the InChIKey of N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

The InChIKey is DHUPWULGOALWFT-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-16-26-20(15-31-16)22-10-9-18(32-22)11-12-25-23(28)19(14-17-6-3-2-4-7-17)27-24(29)21-8-5-13-30-21/h2-10,13,15,19H,11-12,14H2,1H3,(H,25,28)(H,27,29)/t19-/m0/s1.

What are the key properties of N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 31684932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).