N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide

C26H31FN2O3S — CID 93170437

About N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide

N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 93170437) has the molecular formula C26H31FN2O3S and a molecular weight of 470.61 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide
• PubChem CID: 93170437
• Molecular Formula: C26H31FN2O3S
• Molecular Weight: 470.61 g/mol
• Exact Mass: 470.20
• IUPAC Name: N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide
• SMILES: O=C(C1CCCC1)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1
• InChI: InChI=1S/C26H31FN2O3S/c27-20-6-3-7-21(14-20)32-17-23-22-11-13-33-24(22)10-12-29(23)25(30)16-28(15-18-8-9-18)26(31)19-4-1-2-5-19/h3,6-7,11,13-14,18-19,23H,1-2,4-5,8-10,12,15-17H2/t23-/m0/s1
• InChIKey: DWCNIRSOYUWDPE-QHCPKHFHSA-N
• XLogP: 4.82
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.61
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide (CID 93170437) is N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide.

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

The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide is O=C(C1CCCC1)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1.

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

The InChIKey is DWCNIRSOYUWDPE-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H31FN2O3S/c27-20-6-3-7-21(14-20)32-17-23-22-11-13-33-24(22)10-12-29(23)25(30)16-28(15-18-8-9-18)26(31)19-4-1-2-5-19/h3,6-7,11,13-14,18-19,23H,1-2,4-5,8-10,12,15-17H2/t23-/m0/s1.

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

N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 470.61 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 93170437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).