1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one

C23H27ClN2O3S — CID 158386920

IUPAC1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one
SMILESCCN1CCc2c(sc(CC(=O)Cc3ccc(Cl)cc3)c2C(=O)N2CCOCC2)C1
InChIInChI=1S/C23H27ClN2O3S/c1-2-25-8-7-19-21(15-25)30-20(22(19)23(28)26-9-11-29-12-10-26)14-18(27)13-16-3-5-17(24)6-4-16/h3-6H,2,7-15H2,1H3
InChIKeyHBFGRGAMRNKGKM-UHFFFAOYSA-N
MW447.00 g/mol
LogP3.61
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one

1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one (PubChem CID 158386920) has the molecular formula C23H27ClN2O3S and a molecular weight of 447.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one
PubChem CID158386920
Molecular FormulaC23H27ClN2O3S
Molecular Weight447.00 g/mol
Exact Mass446.14
IUPAC Name1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one
SMILESCCN1CCc2c(sc(CC(=O)Cc3ccc(Cl)cc3)c2C(=O)N2CCOCC2)C1
InChIInChI=1S/C23H27ClN2O3S/c1-2-25-8-7-19-21(15-25)30-20(22(19)23(28)26-9-11-29-12-10-26)14-18(27)13-16-3-5-17(24)6-4-16/h3-6H,2,7-15H2,1H3
InChIKeyHBFGRGAMRNKGKM-UHFFFAOYSA-N
XLogP3.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.00
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 161135643
tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate
CID 118318290
carbon dioxide;6-ethyl-2-[3-(4-methylphenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 158052139
2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861069
4-[bis(2-cyanoethyl)sulfamoyl]-N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 43951412
6-ethyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861046
N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide
CID 23992475
2-acetamido-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4054678
2-[3-(4-chlorophenyl)-2-oxopropyl]-6-(cyclopropylmethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide iodide
CID 161116227
ethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 17062593
6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 161235906
ethyl 1-[4-[[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 43951413

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one (CID 158386920) is 1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one is CCN1CCc2c(sc(CC(=O)Cc3ccc(Cl)cc3)c2C(=O)N2CCOCC2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one?
The InChIKey is HBFGRGAMRNKGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3S/c1-2-25-8-7-19-21(15-25)30-20(22(19)23(28)26-9-11-29-12-10-26)14-18(27)13-16-3-5-17(24)6-4-16/h3-6H,2,7-15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one?
1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one has a molecular weight of 447.00 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one is sourced from PubChem (CID 158386920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).