N-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide

C22H23N5O2S — CID 23007606

IUPACN-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)C(C#N)=C(N)N2)cc1
InChIInChI=1S/C22H23N5O2S/c1-14(28)15-5-7-16(8-6-15)26-19(29)13-30-21-18(12-24)22(9-3-2-4-10-22)17(11-23)20(25)27-21/h5-8,27H,2-4,9-10,13,25H2,1H3,(H,26,29)
InChIKeyQVNQBHPQRSUMHK-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.54
Rot. Bonds5

About N-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide

N-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide (PubChem CID 23007606) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide
PubChem CID23007606
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC NameN-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)C(C#N)=C(N)N2)cc1
InChIInChI=1S/C22H23N5O2S/c1-14(28)15-5-7-16(8-6-15)26-19(29)13-30-21-18(12-24)22(9-3-2-4-10-22)17(11-23)20(25)27-21/h5-8,27H,2-4,9-10,13,25H2,1H3,(H,26,29)
InChIKeyQVNQBHPQRSUMHK-UHFFFAOYSA-N
XLogP3.54
TPSA131.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenylacetamide
CID 1381836
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-amino-4-(2-anilino-2-oxoethyl)sulfanyl-1-cyano-3-azaspiro[5.5]undeca-1,4-diene-5-carboxamide
CID 23796658
2-[[(1R)-1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 7029077
N-(4-chlorophenyl)-2-[[(1S)-1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl]sulfanyl]acetamide
CID 1015301
4-[[2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetyl]amino]benzamide
CID 7637013
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2194131
2-(3-cyanospiro[1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-4,1'-cyclohexane]-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 4125675
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
N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide
CID 23007666
2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 7613643
N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
CID 609573

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide (CID 23007606) is N-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide is CC(=O)c1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)C(C#N)=C(N)N2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide?
The InChIKey is QVNQBHPQRSUMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-14(28)15-5-7-16(8-6-15)26-19(29)13-30-21-18(12-24)22(9-3-2-4-10-22)17(11-23)20(25)27-21/h5-8,27H,2-4,9-10,13,25H2,1H3,(H,26,29).
What are the key properties of N-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide has a molecular weight of 421.53 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(2-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 23007606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).