N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide

C20H23N3O2S2 — CID 93479399

About N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide

N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 93479399) has the molecular formula C20H23N3O2S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 93479399
• Molecular Formula: C20H23N3O2S2
• Molecular Weight: 401.56 g/mol
• Exact Mass: 401.12
• IUPAC Name: N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: Cc1cc(C(c2cccs2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1
• InChI: InChI=1S/C20H23N3O2S2/c1-14-13-15(20(27-14)21-19(24)16-5-3-11-25-16)18(17-6-4-12-26-17)23-9-7-22(2)8-10-23/h3-6,11-13,18H,7-10H2,1-2H3,(H,21,24)
• InChIKey: NDRODJNFTHVAGU-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 48.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.56
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide (CID 93479399) is N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(C(c2cccs2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1.

What is the InChIKey of N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide?

The InChIKey is NDRODJNFTHVAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S2/c1-14-13-15(20(27-14)21-19(24)16-5-3-11-25-16)18(17-6-4-12-26-17)23-9-7-22(2)8-10-23/h3-6,11-13,18H,7-10H2,1-2H3,(H,21,24).

What are the key properties of N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide?

N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 401.56 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93479399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).