N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide

C23H23Cl2N3O2S2 — CID 59009237

About N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide

N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide (PubChem CID 59009237) has the molecular formula C23H23Cl2N3O2S2 and a molecular weight of 508.50 g/mol. Its IUPAC name is N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide.

Molecular Properties

• Compound Name: N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide
• PubChem CID: 59009237
• Molecular Formula: C23H23Cl2N3O2S2
• Molecular Weight: 508.50 g/mol
• Exact Mass: 507.06
• IUPAC Name: N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide
• SMILES: O=C(CSc1ccc(-c2ccncc2)s1)NC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
• InChI: InChI=1S/C23H23Cl2N3O2S2/c24-19-2-1-16(11-20(19)25)13-28-9-10-30-18(14-28)12-27-22(29)15-31-23-4-3-21(32-23)17-5-7-26-8-6-17/h1-8,11,18H,9-10,12-15H2,(H,27,29)/t18-/m0/s1
• InChIKey: SVSNPGRJFMAMLW-SFHVURJKSA-N
• XLogP: 5.23
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.50
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide?

The IUPAC name of N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide (CID 59009237) is N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide.

What is the SMILES notation for N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide?

The canonical SMILES for N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide is O=C(CSc1ccc(-c2ccncc2)s1)NC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1.

What is the InChIKey of N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide?

The InChIKey is SVSNPGRJFMAMLW-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2S2/c24-19-2-1-16(11-20(19)25)13-28-9-10-30-18(14-28)12-27-22(29)15-31-23-4-3-21(32-23)17-5-7-26-8-6-17/h1-8,11,18H,9-10,12-15H2,(H,27,29)/t18-/m0/s1.

What are the key properties of N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide?

N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide has a molecular weight of 508.50 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide is sourced from PubChem (CID 59009237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).