N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide

C23H27N3OS2 — CID 93479663

About N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide

N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide (PubChem CID 93479663) has the molecular formula C23H27N3OS2 and a molecular weight of 425.62 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide
• PubChem CID: 93479663
• Molecular Formula: C23H27N3OS2
• Molecular Weight: 425.62 g/mol
• Exact Mass: 425.16
• IUPAC Name: N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide
• SMILES: Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2)N2CCN(C)CC2)c1C
• InChI: InChI=1S/C23H27N3OS2/c1-16-17(2)29-23(24-22(27)19-10-7-15-28-19)20(16)21(18-8-5-4-6-9-18)26-13-11-25(3)12-14-26/h4-10,15,21H,11-14H2,1-3H3,(H,24,27)/t21-/m1/s1
• InChIKey: DGHJGFJQLIJLNI-OAQYLSRUSA-N
• XLogP: 5.02
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.62
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide (CID 93479663) is N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide is Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2)N2CCN(C)CC2)c1C.

What is the InChIKey of N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide?

The InChIKey is DGHJGFJQLIJLNI-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3OS2/c1-16-17(2)29-23(24-22(27)19-10-7-15-28-19)20(16)21(18-8-5-4-6-9-18)26-13-11-25(3)12-14-26/h4-10,15,21H,11-14H2,1-3H3,(H,24,27)/t21-/m1/s1.

What are the key properties of N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide?

N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide has a molecular weight of 425.62 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 93479663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).