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

C16H21N3O2S — CID 25020979

IUPACN-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ylacetamide
SMILESCC1CCCc2sc(NC(=O)CN3CCOCC3)c(C#N)c21
InChIInChI=1S/C16H21N3O2S/c1-11-3-2-4-13-15(11)12(9-17)16(22-13)18-14(20)10-19-5-7-21-8-6-19/h11H,2-8,10H2,1H3,(H,18,20)
InChIKeyFAQJPPJALATCPL-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.33
Rot. Bonds3

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

N-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 25020979) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ylacetamide
PubChem CID25020979
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ylacetamide
SMILESCC1CCCc2sc(NC(=O)CN3CCOCC3)c(C#N)c21
InChIInChI=1S/C16H21N3O2S/c1-11-3-2-4-13-15(11)12(9-17)16(22-13)18-14(20)10-19-5-7-21-8-6-19/h11H,2-8,10H2,1H3,(H,18,20)
InChIKeyFAQJPPJALATCPL-UHFFFAOYSA-N
XLogP2.33
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-morpholin-4-ylacetamide
CID 705201
N-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 3778889
2-(azocan-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 8583837
2-(4-acetylpiperazin-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 2697586
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 4963289
1-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 7998586
N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 27525282
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-cyclohexyloxypiperidin-1-yl)acetamide
CID 86874015
N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrrolidin-1-ylacetamide
CID 2056584
2-[(2-morpholin-4-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 675342
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78831082
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 51114865

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ylacetamide (CID 25020979) is N-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ylacetamide is CC1CCCc2sc(NC(=O)CN3CCOCC3)c(C#N)c21.
What is the InChIKey of N-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is FAQJPPJALATCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-3-2-4-13-15(11)12(9-17)16(22-13)18-14(20)10-19-5-7-21-8-6-19/h11H,2-8,10H2,1H3,(H,18,20).
What are the key properties of N-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ylacetamide?
N-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 319.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 25020979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).