methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate

C19H18N2O3S3 — CID 51708147

IUPACmethyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1
InChIInChI=1S/C19H18N2O3S3/c1-24-19(23)18-13(6-10-27-18)20-16(22)11-21-7-4-14-12(5-9-26-14)17(21)15-3-2-8-25-15/h2-3,5-6,8-10,17H,4,7,11H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyKRWWNXDEBSTXKR-QGZVFWFLSA-N
MW418.57 g/mol
LogP4.24
Rot. Bonds5

About methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate (PubChem CID 51708147) has the molecular formula C19H18N2O3S3 and a molecular weight of 418.57 g/mol. Its IUPAC name is methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate
PubChem CID51708147
Molecular FormulaC19H18N2O3S3
Molecular Weight418.57 g/mol
Exact Mass418.05
IUPAC Namemethyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1
InChIInChI=1S/C19H18N2O3S3/c1-24-19(23)18-13(6-10-27-18)20-16(22)11-21-7-4-14-12(5-9-26-14)17(21)15-3-2-8-25-15/h2-3,5-6,8-10,17H,4,7,11H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyKRWWNXDEBSTXKR-QGZVFWFLSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

N-(2-methoxyphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128861
N-(2,4-dimethoxyphenyl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128994
N-(2,3-dimethylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128676
N-phenyl-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128634
N-(5-chloro-2-methylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128720
N-(2-methyl-3-nitrophenyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 17491914
N-(2,4-dichlorophenyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 45281412
N-(3-cyanothiophen-2-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129148
N-(4-chlorophenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128889
N-(methylcarbamoyl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129159
N-(3-methylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128705
methyl 4-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]butanoate
CID 9129396

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate (CID 51708147) is methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1.
What is the InChIKey of methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate?
The InChIKey is KRWWNXDEBSTXKR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18N2O3S3/c1-24-19(23)18-13(6-10-27-18)20-16(22)11-21-7-4-14-12(5-9-26-14)17(21)15-3-2-8-25-15/h2-3,5-6,8-10,17H,4,7,11H2,1H3,(H,20,22)/t17-/m1/s1.
What are the key properties of methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate has a molecular weight of 418.57 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 51708147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).