N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide

C20H21N3O3S — CID 7133917

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2nc(C)nc3ccccc23)cc1OC
InChIInChI=1S/C20H21N3O3S/c1-13-22-16-7-5-4-6-15(16)20(23-13)27-12-19(24)21-11-14-8-9-17(25-2)18(10-14)26-3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyNFNNTTPXNFDYSS-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.36
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 7133917) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID7133917
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2nc(C)nc3ccccc23)cc1OC
InChIInChI=1S/C20H21N3O3S/c1-13-22-16-7-5-4-6-15(16)20(23-13)27-12-19(24)21-11-14-8-9-17(25-2)18(10-14)26-3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyNFNNTTPXNFDYSS-UHFFFAOYSA-N
XLogP3.36
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133990
N-(3-chloro-4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145571
N-benzyl-2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1171908
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16532474
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7680307
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87018027
N-[(3,4-dimethoxyphenyl)methyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 8916508
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
2-(3,4-dimethoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]acetamide
CID 28577640
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 16541500
N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide
CID 43816558

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 7133917) is N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide is COc1ccc(CNC(=O)CSc2nc(C)nc3ccccc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is NFNNTTPXNFDYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-22-16-7-5-4-6-15(16)20(23-13)27-12-19(24)21-11-14-8-9-17(25-2)18(10-14)26-3/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 383.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7133917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).