N-[3-[(R)-(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide

C23H26ClN3OS2 — CID 93479676

About N-[3-[(R)-(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide

N-[3-[(R)-(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide (PubChem CID 93479676) has the molecular formula C23H26ClN3OS2 and a molecular weight of 460.07 g/mol. Its IUPAC name is N-[3-[(R)-(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(R)-(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide
• PubChem CID: 93479676
• Molecular Formula: C23H26ClN3OS2
• Molecular Weight: 460.07 g/mol
• Exact Mass: 459.12
• IUPAC Name: N-[3-[(R)-(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide
• SMILES: Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2Cl)N2CCN(C)CC2)c1C
• InChI: InChI=1S/C23H26ClN3OS2/c1-15-16(2)30-23(25-22(28)19-9-6-14-29-19)20(15)21(17-7-4-5-8-18(17)24)27-12-10-26(3)11-13-27/h4-9,14,21H,10-13H2,1-3H3,(H,25,28)/t21-/m0/s1
• InChIKey: YNCZICZOTRANFD-NRFANRHFSA-N
• XLogP: 5.67
• TPSA: 35.58 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	460.07
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-[(R)-(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide (CID 93479676) is N-[3-[(R)-(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide.

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

The canonical SMILES for N-[3-[(R)-(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide is Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2Cl)N2CCN(C)CC2)c1C.

What is the InChIKey of N-[3-[(R)-(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide?

The InChIKey is YNCZICZOTRANFD-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26ClN3OS2/c1-15-16(2)30-23(25-22(28)19-9-6-14-29-19)20(15)21(17-7-4-5-8-18(17)24)27-12-10-26(3)11-13-27/h4-9,14,21H,10-13H2,1-3H3,(H,25,28)/t21-/m0/s1.

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

N-[3-[(R)-(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide has a molecular weight of 460.07 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(R)-(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 93479676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).