N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

C19H23ClN2O3S — CID 30265111

IUPACN-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-12-8-14(3)19(15(4)9-12)22(26(5,24)25)11-18(23)21-17-10-16(20)7-6-13(17)2/h6-10H,11H2,1-5H3,(H,21,23)
InChIKeyQOFCBZTWLDBMAS-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.98
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 30265111) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
PubChem CID30265111
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-12-8-14(3)19(15(4)9-12)22(26(5,24)25)11-18(23)21-17-10-16(20)7-6-13(17)2/h6-10H,11H2,1-5H3,(H,21,23)
InChIKeyQOFCBZTWLDBMAS-UHFFFAOYSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342538
N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3358994
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126034078
N-(3,5-dichlorophenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30261658
N-(5-chloro-2-methylphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 978401
N-(5-chloro-2-methylphenyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337126
N-naphthalen-1-yl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30259474
N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
CID 3910967
N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30275463
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343222
N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30268728
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (CID 30265111) is N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is Cc1cc(C)c(N(CC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is QOFCBZTWLDBMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-12-8-14(3)19(15(4)9-12)22(26(5,24)25)11-18(23)21-17-10-16(20)7-6-13(17)2/h6-10H,11H2,1-5H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30265111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).