2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C23H31N3OS — CID 37253057

IUPAC2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCN(Cc1ccccc1NCC(=O)N1CCc2sccc2C1)C1CCCCC1
InChIInChI=1S/C23H31N3OS/c1-25(20-8-3-2-4-9-20)16-18-7-5-6-10-21(18)24-15-23(27)26-13-11-22-19(17-26)12-14-28-22/h5-7,10,12,14,20,24H,2-4,8-9,11,13,15-17H2,1H3
InChIKeyKZZFOIMOZKKCPB-UHFFFAOYSA-N
MW397.59 g/mol
LogP4.51
Rot. Bonds6

About 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 37253057) has the molecular formula C23H31N3OS and a molecular weight of 397.59 g/mol. Its IUPAC name is 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID37253057
Molecular FormulaC23H31N3OS
Molecular Weight397.59 g/mol
Exact Mass397.22
IUPAC Name2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCN(Cc1ccccc1NCC(=O)N1CCc2sccc2C1)C1CCCCC1
InChIInChI=1S/C23H31N3OS/c1-25(20-8-3-2-4-9-20)16-18-7-5-6-10-21(18)24-15-23(27)26-13-11-22-19(17-26)12-14-28-22/h5-7,10,12,14,20,24H,2-4,8-9,11,13,15-17H2,1H3
InChIKeyKZZFOIMOZKKCPB-UHFFFAOYSA-N
XLogP4.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone with MolForge

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Related Compounds

2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]-N-methylbenzamide
CID 41395624
2-(cyclohexylamino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43388465
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,5-dimethylanilino)ethanone
CID 37201756
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide
CID 32901720
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylcyclopentyl)amino]ethanone
CID 55171470
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylcarbamoyl)acetamide
CID 55365381
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102636643
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide
CID 78842111
2-(2-bromo-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 37253834
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990761
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 38216091

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 37253057) is 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is CN(Cc1ccccc1NCC(=O)N1CCc2sccc2C1)C1CCCCC1.
What is the InChIKey of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is KZZFOIMOZKKCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3OS/c1-25(20-8-3-2-4-9-20)16-18-7-5-6-10-21(18)24-15-23(27)26-13-11-22-19(17-26)12-14-28-22/h5-7,10,12,14,20,24H,2-4,8-9,11,13,15-17H2,1H3.
What are the key properties of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 397.59 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 37253057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).