N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide

C18H20ClN3O3S — CID 135546857

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C18H20ClN3O3S/c1-10-7-14(15(25-2)8-12(10)19)20-16(23)9-26-18-21-13-6-4-3-5-11(13)17(24)22-18/h7-8H,3-6,9H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyYPFPYVNMFQPOAH-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.35
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 135546857) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
PubChem CID135546857
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C18H20ClN3O3S/c1-10-7-14(15(25-2)8-12(10)19)20-16(23)9-26-18-21-13-6-4-3-5-11(13)17(24)22-18/h7-8H,3-6,9H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyYPFPYVNMFQPOAH-UHFFFAOYSA-N
XLogP3.35
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-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

3-[3-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]propanoic acid
CID 135465127
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 2335619
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide
CID 734363
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(cyanomethyl)sulfanyl]acetamide
CID 1642477
2-Chloro-N-[2-({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methoxy)phenyl]benzamide
CID 16009478
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide
CID 16279734
3-(4-Chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1-phenylpropyl)sulfanylquinazolin-4-one
CID 17560309
N-(5-Chloro-2-methoxy-phenyl)-2-(4-hydroxy-6-phenyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135403338
2-[5-benzyl-6-hydroxy-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide
CID 135436012
2-((3-(4-Chlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1285080
2-((3-(4-CL-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)-N-(2-ethoxy-PH)acetamide
CID 1287316
2-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 7214489

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide (CID 135546857) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide is COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is YPFPYVNMFQPOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-10-7-14(15(25-2)8-12(10)19)20-16(23)9-26-18-21-13-6-4-3-5-11(13)17(24)22-18/h7-8H,3-6,9H2,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 393.90 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135546857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).