N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide

C20H23N3OS — CID 97099110

IUPACN-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CCc2sccc2C1)[C@H](C)c1ccc(C#N)cc1
InChIInChI=1S/C20H23N3OS/c1-3-23(15(2)17-6-4-16(12-21)5-7-17)20(24)14-22-10-8-19-18(13-22)9-11-25-19/h4-7,9,11,15H,3,8,10,13-14H2,1-2H3/t15-/m1/s1
InChIKeyICTOYQSQGSHGNH-OAHLLOKOSA-N
MW353.49 g/mol
LogP3.59
Rot. Bonds5

About N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide

N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide (PubChem CID 97099110) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide
PubChem CID97099110
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CCc2sccc2C1)[C@H](C)c1ccc(C#N)cc1
InChIInChI=1S/C20H23N3OS/c1-3-23(15(2)17-6-4-16(12-21)5-7-17)20(24)14-22-10-8-19-18(13-22)9-11-25-19/h4-7,9,11,15H,3,8,10,13-14H2,1-2H3/t15-/m1/s1
InChIKeyICTOYQSQGSHGNH-OAHLLOKOSA-N
XLogP3.59
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide?
The IUPAC name of N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide (CID 97099110) is N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide.
What is the SMILES notation for N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide?
The canonical SMILES for N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide is CCN(C(=O)CN1CCc2sccc2C1)[C@H](C)c1ccc(C#N)cc1.
What is the InChIKey of N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide?
The InChIKey is ICTOYQSQGSHGNH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-3-23(15(2)17-6-4-16(12-21)5-7-17)20(24)14-22-10-8-19-18(13-22)9-11-25-19/h4-7,9,11,15H,3,8,10,13-14H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide?
N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide has a molecular weight of 353.49 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide is sourced from PubChem (CID 97099110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).