2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide

C24H26N2O3S2 — CID 55428509

IUPAC2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C24H26N2O3S2/c1-2-29-19-8-4-3-7-17(19)24(28)25-13-5-10-22(27)26-14-11-20-18(12-16-31-20)23(26)21-9-6-15-30-21/h3-4,6-9,12,15-16,23H,2,5,10-11,13-14H2,1H3,(H,25,28)
InChIKeyGMICXGQDRPGROH-UHFFFAOYSA-N
MW454.62 g/mol
LogP4.89
Rot. Bonds8

About 2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide

2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide (PubChem CID 55428509) has the molecular formula C24H26N2O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide
PubChem CID55428509
Molecular FormulaC24H26N2O3S2
Molecular Weight454.62 g/mol
Exact Mass454.14
IUPAC Name2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C24H26N2O3S2/c1-2-29-19-8-4-3-7-17(19)24(28)25-13-5-10-22(27)26-14-11-20-18(12-16-31-20)23(26)21-9-6-15-30-21/h3-4,6-9,12,15-16,23H,2,5,10-11,13-14H2,1H3,(H,25,28)
InChIKeyGMICXGQDRPGROH-UHFFFAOYSA-N
XLogP4.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide
CID 9075638
2-(2-propoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9075071
2-(2-propan-2-ylphenoxy)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9075079
3-(2-methoxyphenyl)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 9075123
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 40798555
1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione
CID 9075375
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 36841911
N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide
CID 42890950
2-(4-methoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074713
N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide
CID 119467614
methyl 4-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]butanoate
CID 9129396
[2-(difluoromethoxy)phenyl]-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 43036207

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide (CID 55428509) is 2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide is CCOc1ccccc1C(=O)NCCCC(=O)N1CCc2sccc2C1c1cccs1.
What is the InChIKey of 2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide?
The InChIKey is GMICXGQDRPGROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S2/c1-2-29-19-8-4-3-7-17(19)24(28)25-13-5-10-22(27)26-14-11-20-18(12-16-31-20)23(26)21-9-6-15-30-21/h3-4,6-9,12,15-16,23H,2,5,10-11,13-14H2,1H3,(H,25,28).
What are the key properties of 2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide?
2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide has a molecular weight of 454.62 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide is sourced from PubChem (CID 55428509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).