N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide

C27H26N4O3S — CID 16532276

IUPACN-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
SMILESCc1ccc(-n2c(SCC(=O)NCC(=O)Nc3cccc(C)c3C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H26N4O3S/c1-17-11-13-20(14-12-17)31-26(34)21-8-4-5-9-23(21)30-27(31)35-16-25(33)28-15-24(32)29-22-10-6-7-18(2)19(22)3/h4-14H,15-16H2,1-3H3,(H,28,33)(H,29,32)
InChIKeyTVZOUTHIBCOPHP-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.16
Rot. Bonds7

About N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide

N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide (PubChem CID 16532276) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
PubChem CID16532276
Molecular FormulaC27H26N4O3S
Molecular Weight486.60 g/mol
Exact Mass486.17
IUPAC NameN-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
SMILESCc1ccc(-n2c(SCC(=O)NCC(=O)Nc3cccc(C)c3C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H26N4O3S/c1-17-11-13-20(14-12-17)31-26(34)21-8-4-5-9-23(21)30-27(31)35-16-25(33)28-15-24(32)29-22-10-6-7-18(2)19(22)3/h4-14H,15-16H2,1-3H3,(H,28,33)(H,29,32)
InChIKeyTVZOUTHIBCOPHP-UHFFFAOYSA-N
XLogP4.16
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 9491410
N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide
CID 46606044
N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 7855874
2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 4782629
N-(2-acetylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2094775
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 23989822
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1273453
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentylacetamide
CID 9491417
N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23932140
2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid
CID 3480779
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide (CID 16532276) is N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide is Cc1ccc(-n2c(SCC(=O)NCC(=O)Nc3cccc(C)c3C)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide?
The InChIKey is TVZOUTHIBCOPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S/c1-17-11-13-20(14-12-17)31-26(34)21-8-4-5-9-23(21)30-27(31)35-16-25(33)28-15-24(32)29-22-10-6-7-18(2)19(22)3/h4-14H,15-16H2,1-3H3,(H,28,33)(H,29,32).
What are the key properties of N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide?
N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide has a molecular weight of 486.60 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 16532276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).