N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C19H18N4O2S2 — CID 1162808

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nc2ccccc2c1=O
InChIInChI=1S/C19H18N4O2S2/c1-4-23-18(25)13-7-5-6-8-15(13)21-19(23)26-10-16(24)22-17-14(9-20)11(2)12(3)27-17/h5-8H,4,10H2,1-3H3,(H,22,24)
InChIKeyVQEIWNFJQKHXIN-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.70
Rot. Bonds5

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 1162808) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID1162808
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nc2ccccc2c1=O
InChIInChI=1S/C19H18N4O2S2/c1-4-23-18(25)13-7-5-6-8-15(13)21-19(23)26-10-16(24)22-17-14(9-20)11(2)12(3)27-17/h5-8H,4,10H2,1-3H3,(H,22,24)
InChIKeyVQEIWNFJQKHXIN-UHFFFAOYSA-N
XLogP3.70
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 1143660
N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 23917119
methyl 2-[[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2608217
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7558961
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetamide
CID 43811526
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7875967
ethyl 2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1155399
N-(2,6-dichlorophenyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7876168
N-(2,5-dimethylphenyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 1162800
ethyl 2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2489964
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7875972
3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 23832964

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 1162808) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide is CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nc2ccccc2c1=O.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is VQEIWNFJQKHXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S2/c1-4-23-18(25)13-7-5-6-8-15(13)21-19(23)26-10-16(24)22-17-14(9-20)11(2)12(3)27-17/h5-8H,4,10H2,1-3H3,(H,22,24).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 398.51 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1162808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).