N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C20H24N2O4S — CID 5217689

IUPACN-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCC1(C)Cc2c(sc(NC(=O)C3CC(=O)OC34CCCCC4)c2C#N)CO1
InChIInChI=1S/C20H24N2O4S/c1-19(2)9-12-13(10-21)18(27-15(12)11-25-19)22-17(24)14-8-16(23)26-20(14)6-4-3-5-7-20/h14H,3-9,11H2,1-2H3,(H,22,24)
InChIKeyMIKINGLNXIAYEQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.68
Rot. Bonds2

About N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 5217689) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID5217689
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCC1(C)Cc2c(sc(NC(=O)C3CC(=O)OC34CCCCC4)c2C#N)CO1
InChIInChI=1S/C20H24N2O4S/c1-19(2)9-12-13(10-21)18(27-15(12)11-25-19)22-17(24)14-8-16(23)26-20(14)6-4-3-5-7-20/h14H,3-9,11H2,1-2H3,(H,22,24)
InChIKeyMIKINGLNXIAYEQ-UHFFFAOYSA-N
XLogP3.68
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide with MolForge

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Related Compounds

(1R,6R)-4-chloro-6-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1002032
1-benzyl-3-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)thiourea
CID 1130541
N-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide
CID 2965288
2-(ethoxymethylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile
CID 25249118
(4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide
CID 7180103
(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7367649
N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 2956170
2-[1-[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 56809479
(4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide
CID 125445382
2-[1-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 31617196
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)cyclopropanecarboxamide
CID 679001
1-N,4-N-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)cyclohexane-1,4-dicarboxamide
CID 2375460

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 5217689) is N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is CC1(C)Cc2c(sc(NC(=O)C3CC(=O)OC34CCCCC4)c2C#N)CO1.
What is the InChIKey of N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is MIKINGLNXIAYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-19(2)9-12-13(10-21)18(27-15(12)11-25-19)22-17(24)14-8-16(23)26-20(14)6-4-3-5-7-20/h14H,3-9,11H2,1-2H3,(H,22,24).
What are the key properties of N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 5217689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).