N-[2-[4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide

C25H29ClN2O3S — CID 46010226

About N-[2-[4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide

N-[2-[4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide (PubChem CID 46010226) has the molecular formula C25H29ClN2O3S and a molecular weight of 473.04 g/mol. Its IUPAC name is N-[2-[4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
• PubChem CID: 46010226
• Molecular Formula: C25H29ClN2O3S
• Molecular Weight: 473.04 g/mol
• Exact Mass: 472.16
• IUPAC Name: N-[2-[4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
• SMILES: Cc1cc(OCC2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)C2CC2)ccc1Cl
• InChI: InChI=1S/C25H29ClN2O3S/c1-16-12-19(6-7-21(16)26)31-15-22-20-9-11-32-23(20)8-10-28(22)24(29)14-27(13-17-2-3-17)25(30)18-4-5-18/h6-7,9,11-12,17-18,22H,2-5,8,10,13-15H2,1H3
• InChIKey: YFUGREQYTNZBDO-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.04
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide (CID 46010226) is N-[2-[4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide.

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

The canonical SMILES for N-[2-[4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide is Cc1cc(OCC2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)C2CC2)ccc1Cl.

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

The InChIKey is YFUGREQYTNZBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN2O3S/c1-16-12-19(6-7-21(16)26)31-15-22-20-9-11-32-23(20)8-10-28(22)24(29)14-27(13-17-2-3-17)25(30)18-4-5-18/h6-7,9,11-12,17-18,22H,2-5,8,10,13-15H2,1H3.

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

N-[2-[4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide has a molecular weight of 473.04 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 46010226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).