N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C23H27N3O3S2 — CID 34942302

About N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 34942302) has the molecular formula C23H27N3O3S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 34942302
• Molecular Formula: C23H27N3O3S2
• Molecular Weight: 457.62 g/mol
• Exact Mass: 457.15
• IUPAC Name: N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1
• InChI: InChI=1S/C23H27N3O3S2/c1-15-7-9-26(10-8-15)17(19-6-4-12-30-19)14-24-23(28)21-16(2)13-20(31-21)25-22(27)18-5-3-11-29-18/h3-6,11-13,15,17H,7-10,14H2,1-2H3,(H,24,28)(H,25,27)/t17-/m0/s1
• InChIKey: VDTNBWITWDXXER-KRWDZBQOSA-N
• XLogP: 5.17
• TPSA: 74.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.62
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 34942302) is N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1.

What is the InChIKey of N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?

The InChIKey is VDTNBWITWDXXER-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N3O3S2/c1-15-7-9-26(10-8-15)17(19-6-4-12-30-19)14-24-23(28)21-16(2)13-20(31-21)25-22(27)18-5-3-11-29-18/h3-6,11-13,15,17H,7-10,14H2,1-2H3,(H,24,28)(H,25,27)/t17-/m0/s1.

What are the key properties of N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?

N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 34942302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).