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

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

2-fluoro-N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide (PubChem CID 46010570) has the molecular formula C30H35FN2O4S and a molecular weight of 538.69 g/mol. Its IUPAC name is 2-fluoro-N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name	2-fluoro-N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
PubChem CID	46010570
Molecular Formula	C30H35FN2O4S
Molecular Weight	538.69 g/mol
Exact Mass	538.23
IUPAC Name	2-fluoro-N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
SMILES	COCCCN(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)C(=O)c1ccccc1F
InChI	InChI=1S/C30H35FN2O4S/c1-21(2)22-9-11-23(12-10-22)37-20-27-25-14-18-38-28(25)13-16-33(27)29(34)19-32(15-6-17-36-3)30(35)24-7-4-5-8-26(24)31/h4-5,7-12,14,18,21,27H,6,13,15-17,19-20H2,1-3H3
InChIKey	FWLMZZXOBZIPHX-UHFFFAOYSA-N
XLogP	5.69
TPSA	59.08 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	11
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.69
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 2-fluoro-N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide (CID 46010570) is 2-fluoro-N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide.

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

The canonical SMILES for 2-fluoro-N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide is COCCCN(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)C(=O)c1ccccc1F.

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

The InChIKey is FWLMZZXOBZIPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN2O4S/c1-21(2)22-9-11-23(12-10-22)37-20-27-25-14-18-38-28(25)13-16-33(27)29(34)19-32(15-6-17-36-3)30(35)24-7-4-5-8-26(24)31/h4-5,7-12,14,18,21,27H,6,13,15-17,19-20H2,1-3H3.

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

2-fluoro-N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide has a molecular weight of 538.69 g/mol, XLogP of 5.69, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide is sourced from PubChem (CID 46010570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).