N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide

C27H30N2O2S2 — CID 24717999

About N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide

N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 24717999) has the molecular formula C27H30N2O2S2 and a molecular weight of 478.68 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide
• PubChem CID: 24717999
• Molecular Formula: C27H30N2O2S2
• Molecular Weight: 478.68 g/mol
• Exact Mass: 478.17
• IUPAC Name: N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide
• SMILES: Cc1ccccc1C1c2ccsc2CCN1C(=O)CN(C(=O)c1cccs1)C1CCCCC1
• InChI: InChI=1S/C27H30N2O2S2/c1-19-8-5-6-11-21(19)26-22-14-17-33-23(22)13-15-28(26)25(30)18-29(20-9-3-2-4-10-20)27(31)24-12-7-16-32-24/h5-8,11-12,14,16-17,20,26H,2-4,9-10,13,15,18H2,1H3
• InChIKey: YKPVVNVVIKQWOY-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 40.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.68
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide?

The IUPAC name of N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide (CID 24717999) is N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide.

What is the SMILES notation for N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide?

The canonical SMILES for N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccccc1C1c2ccsc2CCN1C(=O)CN(C(=O)c1cccs1)C1CCCCC1.

What is the InChIKey of N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide?

The InChIKey is YKPVVNVVIKQWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2S2/c1-19-8-5-6-11-21(19)26-22-14-17-33-23(22)13-15-28(26)25(30)18-29(20-9-3-2-4-10-20)27(31)24-12-7-16-32-24/h5-8,11-12,14,16-17,20,26H,2-4,9-10,13,15,18H2,1H3.

What are the key properties of N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide?

N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 478.68 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24717999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).