N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide

C22H24N4O3S — CID 27971771

IUPACN-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C(C)C)c1
InChIInChI=1S/C22H24N4O3S/c1-4-23-20(28)15-8-7-9-16(12-15)24-19(27)13-30-22-25-18-11-6-5-10-17(18)21(29)26(22)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyLRZZUMLESDSCGR-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.46
Rot. Bonds7

About N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide

N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide (PubChem CID 27971771) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
PubChem CID27971771
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C(C)C)c1
InChIInChI=1S/C22H24N4O3S/c1-4-23-20(28)15-8-7-9-16(12-15)24-19(27)13-30-22-25-18-11-6-5-10-17(18)21(29)26(22)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyLRZZUMLESDSCGR-UHFFFAOYSA-N
XLogP3.46
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide 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

N-(3-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2639350
3-[[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-ethylbenzamide
CID 27904652
3-[[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-ethylbenzamide
CID 27904690
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 2624390
N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide
CID 25408330
N-(4-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624618
ethyl 3-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1155371
N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 42964055
N-(3-chlorophenyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2521955
N-(3-acetylphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide
CID 16510533
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 55365769
N'-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]benzohydrazide
CID 2627146

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide (CID 27971771) is N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C(C)C)c1.
What is the InChIKey of N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is LRZZUMLESDSCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-4-23-20(28)15-8-7-9-16(12-15)24-19(27)13-30-22-25-18-11-6-5-10-17(18)21(29)26(22)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,28)(H,24,27).
What are the key properties of N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide?
N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 424.53 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 27971771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).