N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C23H24N2O3S — CID 41104628

About N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 41104628) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 41104628
• Molecular Formula: C23H24N2O3S
• Molecular Weight: 408.52 g/mol
• Exact Mass: 408.15
• IUPAC Name: N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
• SMILES: COc1cccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c1
• InChI: InChI=1S/C23H24N2O3S/c1-25(16-18-10-6-11-19(14-18)28-2)23(27)20(15-17-8-4-3-5-9-17)24-22(26)21-12-7-13-29-21/h3-14,20H,15-16H2,1-2H3,(H,24,26)/t20-/m0/s1
• InChIKey: YNQMIUVGTBWNLQ-FQEVSTJZSA-N
• XLogP: 3.76
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.52
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 41104628) is N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is COc1cccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c1.

What is the InChIKey of N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The InChIKey is YNQMIUVGTBWNLQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-25(16-18-10-6-11-19(14-18)28-2)23(27)20(15-17-8-4-3-5-9-17)24-22(26)21-12-7-13-29-21/h3-14,20H,15-16H2,1-2H3,(H,24,26)/t20-/m0/s1.

What are the key properties of N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 41104628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).