2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

C20H18ClF2N3O2S2 — CID 24593532

IUPAC2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCCCn1c(SCC(=O)Nc2ccccc2SC(F)F)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C20H18ClF2N3O2S2/c1-2-9-26-18(28)13-8-7-12(21)10-15(13)25-20(26)29-11-17(27)24-14-5-3-4-6-16(14)30-19(22)23/h3-8,10,19H,2,9,11H2,1H3,(H,24,27)
InChIKeyCVOFYNVNIICTFQ-UHFFFAOYSA-N
MW469.97 g/mol
LogP5.51
Rot. Bonds8

About 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 24593532) has the molecular formula C20H18ClF2N3O2S2 and a molecular weight of 469.97 g/mol. Its IUPAC name is 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID24593532
Molecular FormulaC20H18ClF2N3O2S2
Molecular Weight469.97 g/mol
Exact Mass469.05
IUPAC Name2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCCCn1c(SCC(=O)Nc2ccccc2SC(F)F)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C20H18ClF2N3O2S2/c1-2-9-26-18(28)13-8-7-12(21)10-15(13)25-20(26)29-11-17(27)24-14-5-3-4-6-16(14)30-19(22)23/h3-8,10,19H,2,9,11H2,1H3,(H,24,27)
InChIKeyCVOFYNVNIICTFQ-UHFFFAOYSA-N
XLogP5.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.97
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]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-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 24593212
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 7359666
N-(2-acetylphenyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488352
methyl 2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 2488443
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16571538
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 16510406
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
CID 2488439
N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 97313241
N-(2,4-difluorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329888

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (CID 24593532) is 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is CCCn1c(SCC(=O)Nc2ccccc2SC(F)F)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is CVOFYNVNIICTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O2S2/c1-2-9-26-18(28)13-8-7-12(21)10-15(13)25-20(26)29-11-17(27)24-14-5-3-4-6-16(14)30-19(22)23/h3-8,10,19H,2,9,11H2,1H3,(H,24,27).
What are the key properties of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 469.97 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 24593532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).