2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide

C23H22N4O2S — CID 17447593

IUPAC2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C23H22N4O2S/c1-3-27(15-21(28)24-18-11-6-7-12-19(18)29-2)23-16-9-4-5-10-17(16)25-22(26-23)20-13-8-14-30-20/h4-14H,3,15H2,1-2H3,(H,24,28)
InChIKeyGTTQKIZSUXZHAI-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.83
Rot. Bonds7

About 2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide

2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 17447593) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide
PubChem CID17447593
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C23H22N4O2S/c1-3-27(15-21(28)24-18-11-6-7-12-19(18)29-2)23-16-9-4-5-10-17(16)25-22(26-23)20-13-8-14-30-20/h4-14H,3,15H2,1-2H3,(H,24,28)
InChIKeyGTTQKIZSUXZHAI-UHFFFAOYSA-N
XLogP4.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol
CID 133313174
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689
2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid
CID 91964438
N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 16507527
N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
CID 93300017
2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide
CID 51245916
N-(2-ethylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606772
2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16507503
N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964419
2-(1,3-dimethyl-2,4-dioxo-7-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3630646
N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491
ethyl 2-[[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-sulfamoylamino]acetate
CID 176729683

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide (CID 17447593) is 2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccccc1OC)c1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is GTTQKIZSUXZHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-3-27(15-21(28)24-18-11-6-7-12-19(18)29-2)23-16-9-4-5-10-17(16)25-22(26-23)20-13-8-14-30-20/h4-14H,3,15H2,1-2H3,(H,24,28).
What are the key properties of 2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide?
2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 418.52 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 17447593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).