3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide

C23H23N3O2S — CID 51950048

IUPAC3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1
InChIInChI=1S/C23H23N3O2S/c24-22(27)17-7-4-8-18(13-17)23(28)25-14-20(16-5-2-1-3-6-16)26-11-9-21-19(15-26)10-12-29-21/h1-8,10,12-13,20H,9,11,14-15H2,(H2,24,27)(H,25,28)/t20-/m0/s1
InChIKeyWFPYTFSSJSEZOS-FQEVSTJZSA-N
MW405.52 g/mol
LogP3.38
Rot. Bonds6

About 3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide

3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide (PubChem CID 51950048) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide
PubChem CID51950048
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1
InChIInChI=1S/C23H23N3O2S/c24-22(27)17-7-4-8-18(13-17)23(28)25-14-20(16-5-2-1-3-6-16)26-11-9-21-19(15-26)10-12-29-21/h1-8,10,12-13,20H,9,11,14-15H2,(H2,24,27)(H,25,28)/t20-/m0/s1
InChIKeyWFPYTFSSJSEZOS-FQEVSTJZSA-N
XLogP3.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide
CID 112845311
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]acetamide
CID 119853305
4-acetyl-N-[(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1H-pyrrole-2-carboxamide
CID 51948476
N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide
CID 55713707
1-benzoyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]pyrrolidine-2-carboxamide
CID 112826999
3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853286
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]benzamide
CID 7526057
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2,3-dimethylguanidine
CID 47092705
(2S,5R)-5-(aminomethyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]oxolane-2-carboxamide
CID 120798356
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-methyl-3-propan-2-ylguanidine
CID 111125925
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 18577850
N-[2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 112826543

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide (CID 51950048) is 3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1.
What is the InChIKey of 3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide?
The InChIKey is WFPYTFSSJSEZOS-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23N3O2S/c24-22(27)17-7-4-8-18(13-17)23(28)25-14-20(16-5-2-1-3-6-16)26-11-9-21-19(15-26)10-12-29-21/h1-8,10,12-13,20H,9,11,14-15H2,(H2,24,27)(H,25,28)/t20-/m0/s1.
What are the key properties of 3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide?
3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide has a molecular weight of 405.52 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 51950048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).