N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide

C29H34N2O4S2 — CID 98420689

About N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide (PubChem CID 98420689) has the molecular formula C29H34N2O4S2 and a molecular weight of 538.74 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide
• PubChem CID: 98420689
• Molecular Formula: C29H34N2O4S2
• Molecular Weight: 538.74 g/mol
• Exact Mass: 538.20
• IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide
• SMILES: CC(C)c1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2cccs2)cc1
• InChI: InChI=1S/C29H34N2O4S2/c1-20(2)21-7-9-22(10-8-21)35-19-25-24-12-16-37-26(24)11-13-31(25)28(32)18-30(17-23-5-3-14-34-23)29(33)27-6-4-15-36-27/h4,6-10,12,15-16,20,23,25H,3,5,11,13-14,17-19H2,1-2H3/t23-,25-/m1/s1
• InChIKey: NWQQIOWYGCYNHV-ILBGXUMGSA-N
• XLogP: 5.76
• TPSA: 59.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.74
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide?

The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide (CID 98420689) is N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide?

The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide is CC(C)c1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2cccs2)cc1.

What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide?

The InChIKey is NWQQIOWYGCYNHV-ILBGXUMGSA-N. The full InChI is InChI=1S/C29H34N2O4S2/c1-20(2)21-7-9-22(10-8-21)35-19-25-24-12-16-37-26(24)11-13-31(25)28(32)18-30(17-23-5-3-14-34-23)29(33)27-6-4-15-36-27/h4,6-10,12,15-16,20,23,25H,3,5,11,13-14,17-19H2,1-2H3/t23-,25-/m1/s1.

What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide?

N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 538.74 g/mol, XLogP of 5.76, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 98420689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).