5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide

C19H22N4O3S — CID 45355691

IUPAC5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide
SMILESCCC1c2ccsc2CCN1CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C19H22N4O3S/c1-2-15-14-4-6-27-16(14)3-5-23(15)10-17(24)22-13-8-11(18(20)25)7-12(9-13)19(21)26/h4,6-9,15H,2-3,5,10H2,1H3,(H2,20,25)(H2,21,26)(H,22,24)
InChIKeyCNUUCEPLOLHTTM-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.89
Rot. Bonds6

About 5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide

5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide (PubChem CID 45355691) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide
PubChem CID45355691
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide
SMILESCCC1c2ccsc2CCN1CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C19H22N4O3S/c1-2-15-14-4-6-27-16(14)3-5-23(15)10-17(24)22-13-8-11(18(20)25)7-12(9-13)19(21)26/h4,6-9,15H,2-3,5,10H2,1H3,(H2,20,25)(H2,21,26)(H,22,24)
InChIKeyCNUUCEPLOLHTTM-UHFFFAOYSA-N
XLogP1.89
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-propan-2-ylacetamide
CID 27120884
ethyl (E)-3-[4-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]phenyl]prop-2-enoate
CID 46444711
4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide
CID 31315480
N-(5-acetamido-2-methoxyphenyl)-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26670250
2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-prop-2-ynylacetamide
CID 51227314
N-(2,4-dimethoxyphenyl)-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46482784
N,N-diethyl-3-[[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzamide
CID 51227430
N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide
CID 9000797
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 78825866
2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 42890929
N-(3-fluorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9000151
N-phenyl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25479842

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide (CID 45355691) is 5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide is CCC1c2ccsc2CCN1CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1.
What is the InChIKey of 5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide?
The InChIKey is CNUUCEPLOLHTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-2-15-14-4-6-27-16(14)3-5-23(15)10-17(24)22-13-8-11(18(20)25)7-12(9-13)19(21)26/h4,6-9,15H,2-3,5,10H2,1H3,(H2,20,25)(H2,21,26)(H,22,24).
What are the key properties of 5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide?
5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide has a molecular weight of 386.48 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 45355691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).