N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide

C23H30N4O2S — CID 8789004

IUPACN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1cccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)c1
InChIInChI=1S/C23H30N4O2S/c1-22(2)11-17-18(12-24)21(30-20(17)23(3,4)26-22)25-19(28)14-27(5)13-15-8-7-9-16(10-15)29-6/h7-10,26H,11,13-14H2,1-6H3,(H,25,28)
InChIKeyZYCBAFPHJIEJKH-UHFFFAOYSA-N
MW426.59 g/mol
LogP3.86
Rot. Bonds6

About N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide

N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 8789004) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID8789004
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC NameN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1cccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)c1
InChIInChI=1S/C23H30N4O2S/c1-22(2)11-17-18(12-24)21(30-20(17)23(3,4)26-22)25-19(28)14-27(5)13-15-8-7-9-16(10-15)29-6/h7-10,26H,11,13-14H2,1-6H3,(H,25,28)
InChIKeyZYCBAFPHJIEJKH-UHFFFAOYSA-N
XLogP3.86
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 3-fluorobenzoate
CID 9198498
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-(2-methylphenoxy)acetamide
CID 1420660
[2-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016249
[2-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 3-methylbenzoate
CID 9290540
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054098
N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656670
[2-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] thiophene-3-carboxylate
CID 8645567
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132946
4-acetyl-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)benzamide
CID 4192818
4-butoxy-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)benzamide
CID 5100749
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide
CID 9342075

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide (CID 8789004) is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide is COc1cccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)c1.
What is the InChIKey of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is ZYCBAFPHJIEJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-22(2)11-17-18(12-24)21(30-20(17)23(3,4)26-22)25-19(28)14-27(5)13-15-8-7-9-16(10-15)29-6/h7-10,26H,11,13-14H2,1-6H3,(H,25,28).
What are the key properties of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 426.59 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8789004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).