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

C26H27ClN2O4S2 — CID 98422899

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

N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 98422899) has the molecular formula C26H27ClN2O4S2 and a molecular weight of 531.10 g/mol. Its IUPAC name is N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 98422899
• Molecular Formula: C26H27ClN2O4S2
• Molecular Weight: 531.10 g/mol
• Exact Mass: 530.11
• IUPAC Name: N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
• SMILES: O=C(c1cccs1)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C[C@H]1CCCO1
• InChI: InChI=1S/C26H27ClN2O4S2/c27-18-5-7-19(8-6-18)33-17-22-21-10-14-35-23(21)9-11-29(22)25(30)16-28(15-20-3-1-12-32-20)26(31)24-4-2-13-34-24/h2,4-8,10,13-14,20,22H,1,3,9,11-12,15-17H2/t20-,22+/m1/s1
• InChIKey: SQYYJQOQURZPGP-IRLDBZIGSA-N
• XLogP: 5.29
• TPSA: 59.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.10
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide (CID 98422899) is N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide.

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

The canonical SMILES for N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide is O=C(c1cccs1)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C[C@H]1CCCO1.

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

The InChIKey is SQYYJQOQURZPGP-IRLDBZIGSA-N. The full InChI is InChI=1S/C26H27ClN2O4S2/c27-18-5-7-19(8-6-18)33-17-22-21-10-14-35-23(21)9-11-29(22)25(30)16-28(15-20-3-1-12-32-20)26(31)24-4-2-13-34-24/h2,4-8,10,13-14,20,22H,1,3,9,11-12,15-17H2/t20-,22+/m1/s1.

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

N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 531.10 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 98422899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).