ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate

C19H22N2O3S — CID 8999990

IUPACethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1C
InChIInChI=1S/C19H22N2O3S/c1-3-24-19(23)15-6-4-5-7-16(15)20-18(22)12-21-10-8-17-14(13(21)2)9-11-25-17/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyURKUYGIBUBSGLA-ZDUSSCGKSA-N
MW358.46 g/mol
LogP3.48
Rot. Bonds5

About ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate

ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate (PubChem CID 8999990) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate
PubChem CID8999990
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Nameethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1C
InChIInChI=1S/C19H22N2O3S/c1-3-24-19(23)15-6-4-5-7-16(15)20-18(22)12-21-10-8-17-14(13(21)2)9-11-25-17/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyURKUYGIBUBSGLA-ZDUSSCGKSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate
CID 8999987
N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999892
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 8999966
2-[[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 55412348
N-(2,4-dimethylphenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999878
ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate
CID 8583347
ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate
CID 55445563
ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate
CID 9000827
N-(2,6-dichlorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26006047
N-(2,5-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999795
N-(2,4-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999920
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 9002046

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate (CID 8999990) is ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1C.
What is the InChIKey of ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate?
The InChIKey is URKUYGIBUBSGLA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-24-19(23)15-6-4-5-7-16(15)20-18(22)12-21-10-8-17-14(13(21)2)9-11-25-17/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,20,22)/t13-/m0/s1.
What are the key properties of ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate?
ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate has a molecular weight of 358.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate is sourced from PubChem (CID 8999990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).