N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

C21H20N4OS2 — CID 24577688

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc2SCC(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1
InChIInChI=1S/C21H20N4OS2/c1-13-6-7-17(14(2)10-13)25-9-8-23-21(25)27-12-19(26)24-20-16(11-22)15-4-3-5-18(15)28-20/h6-10H,3-5,12H2,1-2H3,(H,24,26)
InChIKeyPARIBHABBRNUPR-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.64
Rot. Bonds5

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 24577688) has the molecular formula C21H20N4OS2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID24577688
Molecular FormulaC21H20N4OS2
Molecular Weight408.55 g/mol
Exact Mass408.11
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc2SCC(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1
InChIInChI=1S/C21H20N4OS2/c1-13-6-7-17(14(2)10-13)25-9-8-23-21(25)27-12-19(26)24-20-16(11-22)15-4-3-5-18(15)28-20/h6-10H,3-5,12H2,1-2H3,(H,24,26)
InChIKeyPARIBHABBRNUPR-UHFFFAOYSA-N
XLogP4.64
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 3255202
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19729974
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[4-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 21013195
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 21013194
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2406462
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 684871
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126361477
N-[[5-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide
CID 4647957
N-[(1S)-1-[5-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methylbenzamide
CID 41140653
2-(2-chlorophenyl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 2565403
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 3462325
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-methyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19722052

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (CID 24577688) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1ccc(-n2ccnc2SCC(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is PARIBHABBRNUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS2/c1-13-6-7-17(14(2)10-13)25-9-8-23-21(25)27-12-19(26)24-20-16(11-22)15-4-3-5-18(15)28-20/h6-10H,3-5,12H2,1-2H3,(H,24,26).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 408.55 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 24577688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).