N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

C24H28N2O2S2 — CID 93479305

About N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide (PubChem CID 93479305) has the molecular formula C24H28N2O2S2 and a molecular weight of 440.63 g/mol. Its IUPAC name is N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
• PubChem CID: 93479305
• Molecular Formula: C24H28N2O2S2
• Molecular Weight: 440.63 g/mol
• Exact Mass: 440.16
• IUPAC Name: N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
• SMILES: CC1CCN([C@@H](c2cccs2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1
• InChI: InChI=1S/C24H28N2O2S2/c1-16-10-12-26(13-11-16)22(20-9-5-15-29-20)21-17-6-2-3-8-19(17)30-24(21)25-23(27)18-7-4-14-28-18/h4-5,7,9,14-16,22H,2-3,6,8,10-13H2,1H3,(H,25,27)/t22-/m0/s1
• InChIKey: SQQPMRUFLLHSQR-QFIPXVFZSA-N
• XLogP: 6.36
• TPSA: 45.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.63
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide (CID 93479305) is N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide is CC1CCN([C@@H](c2cccs2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1.

What is the InChIKey of N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide?

The InChIKey is SQQPMRUFLLHSQR-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N2O2S2/c1-16-10-12-26(13-11-16)22(20-9-5-15-29-20)21-17-6-2-3-8-19(17)30-24(21)25-23(27)18-7-4-14-28-18/h4-5,7,9,14-16,22H,2-3,6,8,10-13H2,1H3,(H,25,27)/t22-/m0/s1.

What are the key properties of N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide?

N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide has a molecular weight of 440.63 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93479305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).