N-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

C17H14ClN3O2S — CID 137119586

IUPACN-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H14ClN3O2S/c1-10-8-11(18)6-7-13(10)19-15(22)9-24-17-20-14-5-3-2-4-12(14)16(23)21-17/h2-8H,9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyIOBAJADHFDMTFX-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.62
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

N-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 137119586) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
PubChem CID137119586
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H14ClN3O2S/c1-10-8-11(18)6-7-13(10)19-15(22)9-24-17-20-14-5-3-2-4-12(14)16(23)21-17/h2-8H,9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyIOBAJADHFDMTFX-UHFFFAOYSA-N
XLogP3.62
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135732855
N-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135452696
N-(2-chloro-4,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 136686058
N-(4-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135450400
N-(2-methoxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135518456
N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135538320
N-(2,5-dimethoxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135543404
N-(4-hydroxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 176729757
N-(4-chloro-2-methylphenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980194
N-(4-fluoro-3-nitrophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 137085002
2-[[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 136637390
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135441869

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (CID 137119586) is N-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is Cc1cc(Cl)ccc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is IOBAJADHFDMTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-10-8-11(18)6-7-13(10)19-15(22)9-24-17-20-14-5-3-2-4-12(14)16(23)21-17/h2-8H,9H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
N-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 359.84 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 137119586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).