N-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide

C19H17N3O3S — CID 39860948

IUPACN-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)CSc2nc3ccccc3c(=O)n2C)c1
InChIInChI=1S/C19H17N3O3S/c1-12(23)20-14-7-5-6-13(10-14)17(24)11-26-19-21-16-9-4-3-8-15(16)18(25)22(19)2/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyOTCUPTGXXGMVEN-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.87
Rot. Bonds5

About N-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide

N-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide (PubChem CID 39860948) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide
PubChem CID39860948
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)CSc2nc3ccccc3c(=O)n2C)c1
InChIInChI=1S/C19H17N3O3S/c1-12(23)20-14-7-5-6-13(10-14)17(24)11-26-19-21-16-9-4-3-8-15(16)18(25)22(19)2/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyOTCUPTGXXGMVEN-UHFFFAOYSA-N
XLogP2.87
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1155371
N-(3-hydroxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 864135
3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one
CID 38834210
N-(9,10-dioxoanthracen-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 4264727
3-methyl-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 2980541
N-[4-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]phenyl]acetamide
CID 18085161
N-(2,6-diethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7421338
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 39417248
N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3895819
N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980188
2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 27241325
N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7988583

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide (CID 39860948) is N-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)CSc2nc3ccccc3c(=O)n2C)c1.
What is the InChIKey of N-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide?
The InChIKey is OTCUPTGXXGMVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-12(23)20-14-7-5-6-13(10-14)17(24)11-26-19-21-16-9-4-3-8-15(16)18(25)22(19)2/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of N-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide?
N-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide is sourced from PubChem (CID 39860948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).