N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide

C18H24N2O4S2 — CID 27128038

About N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide (PubChem CID 27128038) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide
• PubChem CID: 27128038
• Molecular Formula: C18H24N2O4S2
• Molecular Weight: 396.53 g/mol
• Exact Mass: 396.12
• IUPAC Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide
• SMILES: C[C@H](c1cccs1)N(C)CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1
• InChI: InChI=1S/C18H24N2O4S2/c1-14(17-6-4-9-25-17)19(2)12-18(21)20(11-16-5-3-8-24-16)15-7-10-26(22,23)13-15/h3-6,8-9,14-15H,7,10-13H2,1-2H3/t14-,15-/m1/s1
• InChIKey: YZOLQFXLZPFNOJ-HUUCEWRRSA-N
• XLogP: 2.55
• TPSA: 70.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.53
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide?

The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide (CID 27128038) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide.

What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide?

The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide is C[C@H](c1cccs1)N(C)CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1.

What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide?

The InChIKey is YZOLQFXLZPFNOJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-14(17-6-4-9-25-17)19(2)12-18(21)20(11-16-5-3-8-24-16)15-7-10-26(22,23)13-15/h3-6,8-9,14-15H,7,10-13H2,1-2H3/t14-,15-/m1/s1.

What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide?

N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide has a molecular weight of 396.53 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide is sourced from PubChem (CID 27128038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).