N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide

C17H23N3O2S — CID 2928822

IUPACN-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide
SMILESCC1CCc2c(sc(NC(=O)CCN3CCOCC3)c2C#N)C1
InChIInChI=1S/C17H23N3O2S/c1-12-2-3-13-14(11-18)17(23-15(13)10-12)19-16(21)4-5-20-6-8-22-9-7-20/h12H,2-10H2,1H3,(H,19,21)
InChIKeyOCVGZJQNBMQSQM-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.41
Rot. Bonds4

About N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide

N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide (PubChem CID 2928822) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide
PubChem CID2928822
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide
SMILESCC1CCc2c(sc(NC(=O)CCN3CCOCC3)c2C#N)C1
InChIInChI=1S/C17H23N3O2S/c1-12-2-3-13-14(11-18)17(23-15(13)10-12)19-16(21)4-5-20-6-8-22-9-7-20/h12H,2-10H2,1H3,(H,19,21)
InChIKeyOCVGZJQNBMQSQM-UHFFFAOYSA-N
XLogP2.41
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide with MolForge

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Related Compounds

hGCGR antagonist
CID 619101
N-{3-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}acetamide
CID 1281755
Methyl [6-methyl-3-(4-morpholinylcarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]carbamate
CID 2970970
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(4-methyl-1-piperazinyl)acetamide
CID 2976035
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 2998024
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-piperidin-1-ylacetamide
CID 701963
N-(3-cyano-4,5-dimethyl-2-thienyl)-2-morpholinoacetamide
CID 2816626
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(morpholin-4-yl)acetamide
CID 826287
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-morpholin-4-ylacetamide
CID 3163206
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 4136079
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 17583897
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide
CID 3686939

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide (CID 2928822) is N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide is CC1CCc2c(sc(NC(=O)CCN3CCOCC3)c2C#N)C1.
What is the InChIKey of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide?
The InChIKey is OCVGZJQNBMQSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-2-3-13-14(11-18)17(23-15(13)10-12)19-16(21)4-5-20-6-8-22-9-7-20/h12H,2-10H2,1H3,(H,19,21).
What are the key properties of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide?
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide has a molecular weight of 333.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 2928822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).