2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide

C20H26N2O3S — CID 113154589

IUPAC2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(c2ccccc2C(C)(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-15-9-8-10-16(13-15)21-19(23)14-22(26(5,24)25)18-12-7-6-11-17(18)20(2,3)4/h6-13H,14H2,1-5H3,(H,21,23)
InChIKeyFLZCQQQQJUNGPE-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.70
Rot. Bonds5

About 2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide

2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide (PubChem CID 113154589) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
PubChem CID113154589
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(c2ccccc2C(C)(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-15-9-8-10-16(13-15)21-19(23)14-22(26(5,24)25)18-12-7-6-11-17(18)20(2,3)4/h6-13H,14H2,1-5H3,(H,21,23)
InChIKeyFLZCQQQQJUNGPE-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168
N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2223877
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 1326606
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343143
[2-(3-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508389
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30307573
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692
N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 1314993
N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154134
2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113154543
methyl 4-[[2-(3-methylanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156049

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide (CID 113154589) is 2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(c2ccccc2C(C)(C)C)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The InChIKey is FLZCQQQQJUNGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-9-8-10-16(13-15)21-19(23)14-22(26(5,24)25)18-12-7-6-11-17(18)20(2,3)4/h6-13H,14H2,1-5H3,(H,21,23).
What are the key properties of 2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 113154589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).