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

C18H20N2O2S — CID 42469480

IUPACN-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@H](C)C(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C18H20N2O2S/c1-12-4-3-5-14(10-12)17(21)19-13(2)18(22)20-8-6-16-15(11-20)7-9-23-16/h3-5,7,9-10,13H,6,8,11H2,1-2H3,(H,19,21)/t13-/m1/s1
InChIKeyOXSNIRWOIXVJRN-CYBMUJFWSA-N
MW328.44 g/mol
LogP2.76
Rot. Bonds3

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

N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 42469480) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID42469480
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@H](C)C(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C18H20N2O2S/c1-12-4-3-5-14(10-12)17(21)19-13(2)18(22)20-8-6-16-15(11-20)7-9-23-16/h3-5,7,9-10,13H,6,8,11H2,1-2H3,(H,19,21)/t13-/m1/s1
InChIKeyOXSNIRWOIXVJRN-CYBMUJFWSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]benzamide
CID 42470212
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
3-methyl-N-[1-oxo-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]benzamide
CID 42931992
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170
N-[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55943815
1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55959519
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
N-[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 87040086
N-[(2R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 26007115
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one
CID 55540553
N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55886187

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide (CID 42469480) is N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCc3sccc3C2)c1.
What is the InChIKey of N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is OXSNIRWOIXVJRN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12-4-3-5-14(10-12)17(21)19-13(2)18(22)20-8-6-16-15(11-20)7-9-23-16/h3-5,7,9-10,13H,6,8,11H2,1-2H3,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide?
N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 328.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 42469480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).