N-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide

C20H21N3OS — CID 7145645

IUPACN-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N(C)Cc2ccccc2C)c2ccccc2n1
InChIInChI=1S/C20H21N3OS/c1-14-8-4-5-9-16(14)12-23(3)19(24)13-25-20-17-10-6-7-11-18(17)21-15(2)22-20/h4-11H,12-13H2,1-3H3
InChIKeyQACNLEDYSDZIAE-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.00
Rot. Bonds5

About N-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide

N-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 7145645) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID7145645
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N(C)Cc2ccccc2C)c2ccccc2n1
InChIInChI=1S/C20H21N3OS/c1-14-8-4-5-9-16(14)12-23(3)19(24)13-25-20-17-10-6-7-11-18(17)21-15(2)22-20/h4-11H,12-13H2,1-3H3
InChIKeyQACNLEDYSDZIAE-UHFFFAOYSA-N
XLogP4.00
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 84601738
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 112842058
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7363859
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide
CID 84601919
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112786279
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 30082558
N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
CID 39075440
N-methyl-N-[(2-methylphenyl)methyl]-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 78764189
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 7145645) is N-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)N(C)Cc2ccccc2C)c2ccccc2n1.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is QACNLEDYSDZIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14-8-4-5-9-16(14)12-23(3)19(24)13-25-20-17-10-6-7-11-18(17)21-15(2)22-20/h4-11H,12-13H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 351.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7145645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).