N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C23H18ClN3O2S2 — CID 5233038

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H18ClN3O2S2/c1-27-22(29)17-6-2-3-7-18(17)26-23(27)30-14-21(28)25-19-8-4-5-9-20(19)31-16-12-10-15(24)11-13-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyWKNJJVLUMNTWBJ-UHFFFAOYSA-N
MW468.00 g/mol
LogP5.47
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 5233038) has the molecular formula C23H18ClN3O2S2 and a molecular weight of 468.00 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID5233038
Molecular FormulaC23H18ClN3O2S2
Molecular Weight468.00 g/mol
Exact Mass467.05
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H18ClN3O2S2/c1-27-22(29)17-6-2-3-7-18(17)26-23(27)30-14-21(28)25-19-8-4-5-9-20(19)31-16-12-10-15(24)11-13-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyWKNJJVLUMNTWBJ-UHFFFAOYSA-N
XLogP5.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.00
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide 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

N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3895819
2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 46786885
N-(4-fluoro-2-methylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 46925055
N-(2,6-diethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7421338
N-(2,5-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1075082
N-(9,10-dioxoanthracen-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 4264727
N-(3-methylbutan-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 51140960
methyl 2-[[2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate
CID 46925233
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16511346
N-(3-hydroxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 864135
N-(5-chloro-2-methylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2575489
3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 52546822

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 5233038) is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide is Cn1c(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)nc2ccccc2c1=O.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is WKNJJVLUMNTWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2S2/c1-27-22(29)17-6-2-3-7-18(17)26-23(27)30-14-21(28)25-19-8-4-5-9-20(19)31-16-12-10-15(24)11-13-16/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 468.00 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 5233038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).