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

C30H40N2O4S — CID 93167366

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

N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopentanecarboxamide (PubChem CID 93167366) has the molecular formula C30H40N2O4S and a molecular weight of 524.73 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopentanecarboxamide
• PubChem CID: 93167366
• Molecular Formula: C30H40N2O4S
• Molecular Weight: 524.73 g/mol
• Exact Mass: 524.27
• IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopentanecarboxamide
• SMILES: CC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)C2CCCC2)cc1
• InChI: InChI=1S/C30H40N2O4S/c1-21(2)22-9-11-24(12-10-22)36-20-27-26-14-17-37-28(26)13-15-32(27)29(33)19-31(18-25-8-5-16-35-25)30(34)23-6-3-4-7-23/h9-12,14,17,21,23,25,27H,3-8,13,15-16,18-20H2,1-2H3/t25-,27+/m1/s1
• InChIKey: OQLNXUROUSKIRJ-VPUSJEBWSA-N
• XLogP: 5.57
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.73
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopentanecarboxamide (CID 93167366) is N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopentanecarboxamide.

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

The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopentanecarboxamide is CC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)C2CCCC2)cc1.

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

The InChIKey is OQLNXUROUSKIRJ-VPUSJEBWSA-N. The full InChI is InChI=1S/C30H40N2O4S/c1-21(2)22-9-11-24(12-10-22)36-20-27-26-14-17-37-28(26)13-15-32(27)29(33)19-31(18-25-8-5-16-35-25)30(34)23-6-3-4-7-23/h9-12,14,17,21,23,25,27H,3-8,13,15-16,18-20H2,1-2H3/t25-,27+/m1/s1.

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

N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopentanecarboxamide has a molecular weight of 524.73 g/mol, XLogP of 5.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 93167366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).