N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

C18H21ClN2OS — CID 2472619

IUPACN-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H21ClN2OS/c1-13-16(19)5-4-6-17(13)20-18(22)12-21(2)11-14-7-9-15(23-3)10-8-14/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyVBEASQFMGGXGGR-UHFFFAOYSA-N
MW348.90 g/mol
LogP4.44
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (PubChem CID 2472619) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
PubChem CID2472619
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H21ClN2OS/c1-13-16(19)5-4-6-17(13)20-18(22)12-21(2)11-14-7-9-15(23-3)10-8-14/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyVBEASQFMGGXGGR-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2657306
N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 9221410
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2658580
2-[(2,6-dichlorophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287814
N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 8594676
N-(3-chloro-2-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 24832612
N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide
CID 8574861
N-(3-chloro-2-methylphenyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692061
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (CID 2472619) is N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is CSc1ccc(CN(C)CC(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The InChIKey is VBEASQFMGGXGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-13-16(19)5-4-6-17(13)20-18(22)12-21(2)11-14-7-9-15(23-3)10-8-14/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide has a molecular weight of 348.90 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 2472619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).