N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide

C20H21N3OS — CID 69258823

IUPACN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide
SMILESCCc1ccccc1C1CC1C(=O)Nc1sc2c(c1C#N)CCNC2
InChIInChI=1S/C20H21N3OS/c1-2-12-5-3-4-6-13(12)15-9-16(15)19(24)23-20-17(10-21)14-7-8-22-11-18(14)25-20/h3-6,15-16,22H,2,7-9,11H2,1H3,(H,23,24)
InChIKeyGZLFULFUGFIVMW-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.57
Rot. Bonds4

About N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide (PubChem CID 69258823) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide
PubChem CID69258823
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide
SMILESCCc1ccccc1C1CC1C(=O)Nc1sc2c(c1C#N)CCNC2
InChIInChI=1S/C20H21N3OS/c1-2-12-5-3-4-6-13(12)15-9-16(15)19(24)23-20-17(10-21)14-7-8-22-11-18(14)25-20/h3-6,15-16,22H,2,7-9,11H2,1H3,(H,23,24)
InChIKeyGZLFULFUGFIVMW-UHFFFAOYSA-N
XLogP3.57
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-methylbenzamide
CID 43430839
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide
CID 43638963
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide
CID 43599763
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-fluorobenzamide
CID 43430864
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-3-ylacetamide
CID 62688841
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide
CID 114028602
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-thiophen-2-ylpropanamide
CID 68636768
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-methylsulfonylpropanamide
CID 104520627
(2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide
CID 104856163
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide
CID 43430836
3-(3-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)propanamide
CID 68634738
(3S)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(2,3-dimethylphenyl)butanamide
CID 68636774

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide (CID 69258823) is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide is CCc1ccccc1C1CC1C(=O)Nc1sc2c(c1C#N)CCNC2.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is GZLFULFUGFIVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-2-12-5-3-4-6-13(12)15-9-16(15)19(24)23-20-17(10-21)14-7-8-22-11-18(14)25-20/h3-6,15-16,22H,2,7-9,11H2,1H3,(H,23,24).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide?
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 69258823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).