N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

C17H14ClN3OS — CID 7145483

IUPACN-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C17H14ClN3OS/c1-11-19-14-8-4-2-6-12(14)17(20-11)23-10-16(22)21-15-9-5-3-7-13(15)18/h2-9H,10H2,1H3,(H,21,22)
InChIKeyNATXNOOLOQOADA-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.32
Rot. Bonds4

About N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 7145483) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID7145483
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C17H14ClN3OS/c1-11-19-14-8-4-2-6-12(14)17(20-11)23-10-16(22)21-15-9-5-3-7-13(15)18/h2-9H,10H2,1H3,(H,21,22)
InChIKeyNATXNOOLOQOADA-UHFFFAOYSA-N
XLogP4.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145542
N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145487
N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133920
N-(3-chloro-4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145571
N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145540
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7210077
N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 78452790
1-(2,5-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7996691
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133990

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 7145483) is N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)Nc2ccccc2Cl)c2ccccc2n1.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is NATXNOOLOQOADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-11-19-14-8-4-2-6-12(14)17(20-11)23-10-16(22)21-15-9-5-3-7-13(15)18/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 343.84 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7145483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).