N-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C21H21N3O2S — CID 55848685

IUPACN-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)N(Cc2ccccc2)C2CC2)nc2ccccc2c1=O
InChIInChI=1S/C21H21N3O2S/c1-23-20(26)17-9-5-6-10-18(17)22-21(23)27-14-19(25)24(16-11-12-16)13-15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3
InChIKeyQCYOLUNSQUSKIE-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.22
Rot. Bonds6

About N-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide

N-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 55848685) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID55848685
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)N(Cc2ccccc2)C2CC2)nc2ccccc2c1=O
InChIInChI=1S/C21H21N3O2S/c1-23-20(26)17-9-5-6-10-18(17)22-21(23)27-14-19(25)24(16-11-12-16)13-15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3
InChIKeyQCYOLUNSQUSKIE-UHFFFAOYSA-N
XLogP3.22
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 60607693
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3505299
N-[(2S)-butan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 25362484
N-benzyl-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-methylacetamide
CID 47044774
3-methyl-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 2980541
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 8980002
3-methyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 7421358
N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3895819
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 41166002
N-benzyl-N-(1-cyclopropylethyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 55399283
N-(1-cyanocyclohexyl)-N-methyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 18081751
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2624250

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 55848685) is N-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide is Cn1c(SCC(=O)N(Cc2ccccc2)C2CC2)nc2ccccc2c1=O.
What is the InChIKey of N-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is QCYOLUNSQUSKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-23-20(26)17-9-5-6-10-18(17)22-21(23)27-14-19(25)24(16-11-12-16)13-15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3.
What are the key properties of N-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 379.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 55848685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).