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

C18H21ClN2OS — CID 143624755

IUPAC2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCSN(CC(=O)NCc1ccc(C)cc1)c1cccc(Cl)c1C
InChIInChI=1S/C18H21ClN2OS/c1-13-7-9-15(10-8-13)11-20-18(22)12-21(23-3)17-6-4-5-16(19)14(17)2/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyXFXLDAIDLYVPDZ-UHFFFAOYSA-N
MW348.90 g/mol
LogP4.36
Rot. Bonds6

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

2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 143624755) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID143624755
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCSN(CC(=O)NCc1ccc(C)cc1)c1cccc(Cl)c1C
InChIInChI=1S/C18H21ClN2OS/c1-13-7-9-15(10-8-13)11-20-18(22)12-21(23-3)17-6-4-5-16(19)14(17)2/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyXFXLDAIDLYVPDZ-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 143624883
2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide
CID 113171684
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-nitrosophenyl)methyl]acetamide
CID 89196822
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28634112
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338814
(E)-3-[4-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]phenyl]prop-2-enoic acid
CID 58009433
2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509170
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide
CID 58009444
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 143624860
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 51342896
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113154047
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53279465

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide (CID 143624755) is 2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide is CSN(CC(=O)NCc1ccc(C)cc1)c1cccc(Cl)c1C.
What is the InChIKey of 2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is XFXLDAIDLYVPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-13-7-9-15(10-8-13)11-20-18(22)12-21(23-3)17-6-4-5-16(19)14(17)2/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide?
2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 348.90 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 143624755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).