N-cyclopropyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide

C25H26N2O3S2 — CID 93169225

About N-cyclopropyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide

N-cyclopropyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 93169225) has the molecular formula C25H26N2O3S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide
• PubChem CID: 93169225
• Molecular Formula: C25H26N2O3S2
• Molecular Weight: 466.63 g/mol
• Exact Mass: 466.14
• IUPAC Name: N-cyclopropyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide
• SMILES: Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2cccs2)C2CC2)cc1
• InChI: InChI=1S/C25H26N2O3S2/c1-17-4-8-19(9-5-17)30-16-21-20-11-14-32-22(20)10-12-26(21)24(28)15-27(18-6-7-18)25(29)23-3-2-13-31-23/h2-5,8-9,11,13-14,18,21H,6-7,10,12,15-16H2,1H3/t21-/m0/s1
• InChIKey: MNQAHEZAGPVMRF-NRFANRHFSA-N
• XLogP: 4.93
• TPSA: 49.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.63
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide (CID 93169225) is N-cyclopropyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide.

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

The canonical SMILES for N-cyclopropyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2cccs2)C2CC2)cc1.

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

The InChIKey is MNQAHEZAGPVMRF-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26N2O3S2/c1-17-4-8-19(9-5-17)30-16-21-20-11-14-32-22(20)10-12-26(21)24(28)15-27(18-6-7-18)25(29)23-3-2-13-31-23/h2-5,8-9,11,13-14,18,21H,6-7,10,12,15-16H2,1H3/t21-/m0/s1.

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

N-cyclopropyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 466.63 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 93169225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).