N-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide

C25H22ClN3O3S — CID 11754873

IUPACN-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccco3)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C25H22ClN3O3S/c1-15(30)27-22-21-18(16-7-9-17(26)10-8-16)14-19(20-6-5-13-32-20)28-24(21)33-23(22)25(31)29-11-3-2-4-12-29/h5-10,13-14H,2-4,11-12H2,1H3,(H,27,30)
InChIKeyXJHBNPQJWKTUFH-UHFFFAOYSA-N
MW479.99 g/mol
LogP6.46
Rot. Bonds4

About N-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide

N-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide (PubChem CID 11754873) has the molecular formula C25H22ClN3O3S and a molecular weight of 479.99 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide
PubChem CID11754873
Molecular FormulaC25H22ClN3O3S
Molecular Weight479.99 g/mol
Exact Mass479.11
IUPAC NameN-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccco3)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C25H22ClN3O3S/c1-15(30)27-22-21-18(16-7-9-17(26)10-8-16)14-19(20-6-5-13-32-20)28-24(21)33-23(22)25(31)29-11-3-2-4-12-29/h5-10,13-14H,2-4,11-12H2,1H3,(H,27,30)
InChIKeyXJHBNPQJWKTUFH-UHFFFAOYSA-N
XLogP6.46
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.99
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide
CID 10476857
3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide
CID 14510431
4-(4-fluorophenyl)-6-(furan-2-yl)-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid
CID 10004597
4-(4-fluorophenyl)-6-(furan-2-yl)-3-[[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]amino]thieno[2,3-b]pyridine-2-carboxylic acid
CID 11743899
4-(4-bromophenyl)-6-(furan-2-yl)-3-[[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]amino]thieno[2,3-b]pyridine-2-carboxylic acid
CID 10413634
3-amino-6-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 5016303
[2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 11173320
3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19509590
N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide
CID 10482067
(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 122624340
azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 35184700
[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1147313

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide (CID 11754873) is N-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide is CC(=O)Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccco3)cc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of N-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is XJHBNPQJWKTUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3S/c1-15(30)27-22-21-18(16-7-9-17(26)10-8-16)14-19(20-6-5-13-32-20)28-24(21)33-23(22)25(31)29-11-3-2-4-12-29/h5-10,13-14H,2-4,11-12H2,1H3,(H,27,30).
What are the key properties of N-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide?
N-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 479.99 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 11754873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).