N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

C16H18N2O2S2 — CID 71943345

IUPACN-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N1CCc2sccc2C1C
InChIInChI=1S/C16H18N2O2S2/c1-10(17-15(19)14-4-3-8-21-14)16(20)18-7-5-13-12(11(18)2)6-9-22-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,17,19)
InChIKeyLTNLCRFROFNGJF-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.07
Rot. Bonds3

About N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 71943345) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID71943345
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC NameN-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N1CCc2sccc2C1C
InChIInChI=1S/C16H18N2O2S2/c1-10(17-15(19)14-4-3-8-21-14)16(20)18-7-5-13-12(11(18)2)6-9-22-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,17,19)
InChIKeyLTNLCRFROFNGJF-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6929698
2-methyl-1-[2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 79372062
2,2-difluoro-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 103604023
methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 93039678
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]thiophene-2-carboxamide
CID 1263443
(2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035200
N-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47143464
(4R)-3-[2-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143308
N'-hydroxy-3-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)butanimidamide
CID 76923749
N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide
CID 94443674
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-ethyl-N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 116655108

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 71943345) is N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)N1CCc2sccc2C1C.
What is the InChIKey of N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is LTNLCRFROFNGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-10(17-15(19)14-4-3-8-21-14)16(20)18-7-5-13-12(11(18)2)6-9-22-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 71943345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).