2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide

C25H22N4O4S — CID 2564088

IUPAC2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1CCO)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H22N4O4S/c30-15-14-29-24(33)19-11-5-7-13-21(19)28-25(29)34-16-22(31)27-20-12-6-4-10-18(20)23(32)26-17-8-2-1-3-9-17/h1-13,30H,14-16H2,(H,26,32)(H,27,31)
InChIKeyNIHVAXXEPUMOPM-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.37
Rot. Bonds8

About 2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide

2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide (PubChem CID 2564088) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is 2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide
PubChem CID2564088
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC Name2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1CCO)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H22N4O4S/c30-15-14-29-24(33)19-11-5-7-13-21(19)28-25(29)34-16-22(31)27-20-12-6-4-10-18(20)23(32)26-17-8-2-1-3-9-17/h1-13,30H,14-16H2,(H,26,32)(H,27,31)
InChIKeyNIHVAXXEPUMOPM-UHFFFAOYSA-N
XLogP3.37
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40608287
2-[3-[2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 46370273
methyl 2-[[2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetyl]amino]benzoate
CID 2489407
N-(3-fluorophenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2575276
2-[3-(2-hydroxyethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 18592689
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 2610667
N-carbamoyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7954371
2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 6489117
2-[3-[3-[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 46370309
N-(4-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7465834
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 2610706
N-(4-acetamidophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16517299

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide (CID 2564088) is 2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide is O=C(CSc1nc2ccccc2c(=O)n1CCO)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide?
The InChIKey is NIHVAXXEPUMOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c30-15-14-29-24(33)19-11-5-7-13-21(19)28-25(29)34-16-22(31)27-20-12-6-4-10-18(20)23(32)26-17-8-2-1-3-9-17/h1-13,30H,14-16H2,(H,26,32)(H,27,31).
What are the key properties of 2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide?
2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide has a molecular weight of 474.54 g/mol, XLogP of 3.37, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 2564088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).