N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide

C18H22N2O3S — CID 22304310

IUPACN,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide
SMILESCc1ccc(S(=O)(=O)c2cc(C)ccc2NCC(=O)N(C)C)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-5-8-15(9-6-13)24(22,23)17-11-14(2)7-10-16(17)19-12-18(21)20(3)4/h5-11,19H,12H2,1-4H3
InChIKeyPLORIKVBRHHGCQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.64
Rot. Bonds5

About N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide

N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide (PubChem CID 22304310) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide
PubChem CID22304310
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide
SMILESCc1ccc(S(=O)(=O)c2cc(C)ccc2NCC(=O)N(C)C)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-5-8-15(9-6-13)24(22,23)17-11-14(2)7-10-16(17)19-12-18(21)20(3)4/h5-11,19H,12H2,1-4H3
InChIKeyPLORIKVBRHHGCQ-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide
CID 20851212
2-[2-(4-fluorophenyl)sulfonylanilino]-N,N-dimethylacetamide
CID 20851233
N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
CID 22306767
2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 22307616
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide
CID 62867932
N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304114
2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide
CID 22304214
N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
CID 22304368
(4-methylphenyl) 2-[2-(benzenesulfonyl)anilino]acetate
CID 20850942
2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 43387793
2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid
CID 22301669
2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide
CID 43806025

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide (CID 22304310) is N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide is Cc1ccc(S(=O)(=O)c2cc(C)ccc2NCC(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide?
The InChIKey is PLORIKVBRHHGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-5-8-15(9-6-13)24(22,23)17-11-14(2)7-10-16(17)19-12-18(21)20(3)4/h5-11,19H,12H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide?
N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide is sourced from PubChem (CID 22304310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).