N-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C22H24N4O4S — CID 166181920

IUPACN-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOCC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C22H24N4O4S/c1-14-8-10-16(11-9-14)26-20(28)17-6-4-5-7-18(17)24-22(26)31-13-19(27)25-21(29)23-15(2)12-30-3/h4-11,15H,12-13H2,1-3H3,(H2,23,25,27,29)
InChIKeySKHXWONJACRJLE-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.65
Rot. Bonds7

About N-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 166181920) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID166181920
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOCC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C22H24N4O4S/c1-14-8-10-16(11-9-14)26-20(28)17-6-4-5-7-18(17)24-22(26)31-13-19(27)25-21(29)23-15(2)12-30-3/h4-11,15H,12-13H2,1-3H3,(H2,23,25,27,29)
InChIKeySKHXWONJACRJLE-UHFFFAOYSA-N
XLogP2.65
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-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

2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 3621566
N-[(2S)-1-methoxypropan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 41038076
N-[(4-methoxyphenyl)methyl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112779491
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
N-carbamoyl-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7253259
N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 7840089
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
3-(4-methylphenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2084795
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 27236331
2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 9491410
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 3376172
N-(tert-butylcarbamoyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2652620

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 166181920) is N-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is COCC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1.
What is the InChIKey of N-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is SKHXWONJACRJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-14-8-10-16(11-9-14)26-20(28)17-6-4-5-7-18(17)24-22(26)31-13-19(27)25-21(29)23-15(2)12-30-3/h4-11,15H,12-13H2,1-3H3,(H2,23,25,27,29).
What are the key properties of N-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 440.53 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-ylcarbamoyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 166181920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).