2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide

C19H19N5OS — CID 1381836

IUPAC2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide
SMILESN#CC1=C(N)NC(SCC(=O)Nc2ccccc2)=C(C#N)C12CCCC2
InChIInChI=1S/C19H19N5OS/c20-10-14-17(22)24-18(15(11-21)19(14)8-4-5-9-19)26-12-16(25)23-13-6-2-1-3-7-13/h1-3,6-7,24H,4-5,8-9,12,22H2,(H,23,25)
InChIKeyLYVFFJVPTPITCD-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.95
Rot. Bonds4

About 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide

2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide (PubChem CID 1381836) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide
PubChem CID1381836
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide
SMILESN#CC1=C(N)NC(SCC(=O)Nc2ccccc2)=C(C#N)C12CCCC2
InChIInChI=1S/C19H19N5OS/c20-10-14-17(22)24-18(15(11-21)19(14)8-4-5-9-19)26-12-16(25)23-13-6-2-1-3-7-13/h1-3,6-7,24H,4-5,8-9,12,22H2,(H,23,25)
InChIKeyLYVFFJVPTPITCD-UHFFFAOYSA-N
XLogP2.95
TPSA114.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide with MolForge

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Related Compounds

2-amino-4-(2-anilino-2-oxoethyl)sulfanyl-1-cyano-3-azaspiro[5.5]undeca-1,4-diene-5-carboxamide
CID 23796658
N-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide
CID 23007606
2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 23007589
2-[(3'R,4R)-3-cyano-3'-methylspiro[1,5,6,7-tetrahydrocyclopenta[b]pyridine-4,1'-cyclohexane]-2-yl]sulfanyl-N-phenylacetamide
CID 1371628
2-(3-cyanospiro[1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-4,1'-cyclohexane]-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 4125675
N-(4-chlorophenyl)-2-[[(1S)-1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl]sulfanyl]acetamide
CID 1015301
2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide
CID 8679264
2-[[(1R)-1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 7029077
2-[[6-amino-3,5-dicyano-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]sulfanyl]-N-(4-bromophenyl)acetamide
CID 3630816
2-amino-4-(2-anilino-2-oxoethyl)sulfanyl-1-cyano-3-azaspiro[5.5]undeca-2,4-diene-5-carboxamide
CID 7109391
2-[(1-hydroxycycloheptyl)methylamino]-N-phenylacetamide
CID 65122153
2-[[(4R)-5-cyano-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide
CID 2213430

Frequently Asked Questions

What is the IUPAC name of 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide (CID 1381836) is 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide is N#CC1=C(N)NC(SCC(=O)Nc2ccccc2)=C(C#N)C12CCCC2.
What is the InChIKey of 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is LYVFFJVPTPITCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c20-10-14-17(22)24-18(15(11-21)19(14)8-4-5-9-19)26-12-16(25)23-13-6-2-1-3-7-13/h1-3,6-7,24H,4-5,8-9,12,22H2,(H,23,25).
What are the key properties of 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide?
2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 365.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 1381836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).