N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

C17H19N3O2S — CID 18137945

IUPACN-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESO=C(CN1CCc2sccc2C1)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H19N3O2S/c21-16(12-20-8-6-15-14(11-20)7-9-23-15)19-17(22)18-10-13-4-2-1-3-5-13/h1-5,7,9H,6,8,10-12H2,(H2,18,19,21,22)
InChIKeyKCOLILGIVBVDCI-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.13
Rot. Bonds4

About N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 18137945) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID18137945
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESO=C(CN1CCc2sccc2C1)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H19N3O2S/c21-16(12-20-8-6-15-14(11-20)7-9-23-15)19-17(22)18-10-13-4-2-1-3-5-13/h1-5,7,9H,6,8,10-12H2,(H2,18,19,21,22)
InChIKeyKCOLILGIVBVDCI-UHFFFAOYSA-N
XLogP2.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 24674437
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one
CID 62023515
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 41367420
N-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18008469
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)acetamide
CID 17497850
2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide
CID 18138052
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]acetamide
CID 35484743
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47034364
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 35484545
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 60560848
N-(benzylcarbamoyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 8002128
N-[4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 60563640

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (CID 18137945) is N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is O=C(CN1CCc2sccc2C1)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is KCOLILGIVBVDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16(12-20-8-6-15-14(11-20)7-9-23-15)19-17(22)18-10-13-4-2-1-3-5-13/h1-5,7,9H,6,8,10-12H2,(H2,18,19,21,22).
What are the key properties of N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 329.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 18137945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).