N-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide

C15H14N2O2S — CID 63902692

IUPACN-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide
SMILESN#CC1(C(=O)Nc2ccc3sccc3c2)CCOCC1
InChIInChI=1S/C15H14N2O2S/c16-10-15(4-6-19-7-5-15)14(18)17-12-1-2-13-11(9-12)3-8-20-13/h1-3,8-9H,4-7H2,(H,17,18)
InChIKeyXLBVSKNHTZGUSO-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.16
Rot. Bonds2

About N-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide

N-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide (PubChem CID 63902692) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide
PubChem CID63902692
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide
SMILESN#CC1(C(=O)Nc2ccc3sccc3c2)CCOCC1
InChIInChI=1S/C15H14N2O2S/c16-10-15(4-6-19-7-5-15)14(18)17-12-1-2-13-11(9-12)3-8-20-13/h1-3,8-9H,4-7H2,(H,17,18)
InChIKeyXLBVSKNHTZGUSO-UHFFFAOYSA-N
XLogP3.16
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclopentane-1-carboxamide
CID 81489454
1-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 51224356
1-cyano-N-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 80599421
1-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentane-1-carboxamide
CID 37352833
2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid
CID 119224839
N-(5-bromo-3-pyridinyl)-4-cyanooxane-4-carboxamide
CID 113339574
4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
CID 63327364
2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone
CID 60706036
N-(5-bromo-2-cyanophenyl)-4-cyanooxane-4-carboxamide
CID 104880272
N-(1-benzothiophen-5-yl)-2-cyanobutanamide
CID 65473775
N-(1-benzothiophen-5-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 55477990
N-(5-chloro-2-nitrophenyl)-4-cyanooxane-4-carboxamide
CID 107857357

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide (CID 63902692) is N-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide is N#CC1(C(=O)Nc2ccc3sccc3c2)CCOCC1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide?
The InChIKey is XLBVSKNHTZGUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c16-10-15(4-6-19-7-5-15)14(18)17-12-1-2-13-11(9-12)3-8-20-13/h1-3,8-9H,4-7H2,(H,17,18).
What are the key properties of N-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide?
N-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide is sourced from PubChem (CID 63902692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).