N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide

C28H26N4O3S — CID 16534199

IUPACN-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
SMILESCCc1ccc(-n2c(SCC(=O)Nc3ccccc3C(=O)NC3CC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C28H26N4O3S/c1-2-18-11-15-20(16-12-18)32-27(35)22-8-4-6-10-24(22)31-28(32)36-17-25(33)30-23-9-5-3-7-21(23)26(34)29-19-13-14-19/h3-12,15-16,19H,2,13-14,17H2,1H3,(H,29,34)(H,30,33)
InChIKeyNHWQKOODMYQPIV-UHFFFAOYSA-N
MW498.61 g/mol
LogP4.57
Rot. Bonds8

About N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide

N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide (PubChem CID 16534199) has the molecular formula C28H26N4O3S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
PubChem CID16534199
Molecular FormulaC28H26N4O3S
Molecular Weight498.61 g/mol
Exact Mass498.17
IUPAC NameN-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
SMILESCCc1ccc(-n2c(SCC(=O)Nc3ccccc3C(=O)NC3CC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C28H26N4O3S/c1-2-18-11-15-20(16-12-18)32-27(35)22-8-4-6-10-24(22)31-28(32)36-17-25(33)30-23-9-5-3-7-21(23)26(34)29-19-13-14-19/h3-12,15-16,19H,2,13-14,17H2,1H3,(H,29,34)(H,30,33)
InChIKeyNHWQKOODMYQPIV-UHFFFAOYSA-N
XLogP4.57
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide with MolForge

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Related Compounds

N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 41259058
N-(2-chloro-3-pyridinyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4799006
N-(2,6-diethylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16534179
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 24570246
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2605057
N-(2-acetylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2094775
N-(3,4-dimethylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23964945
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide
CID 2595053
N-(2,6-dichloro-3-methylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23762941
N-(4-methylcyclohexyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 8871437
N-[4-(cyanomethyl)phenyl]-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 46821334
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 3568329

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide (CID 16534199) is N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide is CCc1ccc(-n2c(SCC(=O)Nc3ccccc3C(=O)NC3CC3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide?
The InChIKey is NHWQKOODMYQPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3S/c1-2-18-11-15-20(16-12-18)32-27(35)22-8-4-6-10-24(22)31-28(32)36-17-25(33)30-23-9-5-3-7-21(23)26(34)29-19-13-14-19/h3-12,15-16,19H,2,13-14,17H2,1H3,(H,29,34)(H,30,33).
What are the key properties of N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide has a molecular weight of 498.61 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 16534199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).