2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide

C19H24N2O3S — CID 51345177

IUPAC2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide
SMILESCc1cccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H24N2O3S/c1-15-9-8-10-16(13-15)21(14-18(22)20-19(2,3)4)25(23,24)17-11-6-5-7-12-17/h5-13H,14H2,1-4H3,(H,20,22)
InChIKeyATRHXVCCPZPBJH-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.11
Rot. Bonds5

About 2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide

2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide (PubChem CID 51345177) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide
PubChem CID51345177
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide
SMILESCc1cccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H24N2O3S/c1-15-9-8-10-16(13-15)21(14-18(22)20-19(2,3)4)25(23,24)17-11-6-5-7-12-17/h5-13H,14H2,1-4H3,(H,20,22)
InChIKeyATRHXVCCPZPBJH-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide
CID 2270999
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43901799
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43891906
N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 4610141
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide
CID 1288293
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide
CID 30169183
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 30175041
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43891929
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 26565908
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide
CID 3111589
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2,3-dichlorophenyl)acetamide
CID 126271164
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 94838048

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide (CID 51345177) is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide is Cc1cccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide?
The InChIKey is ATRHXVCCPZPBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-9-8-10-16(13-15)21(14-18(22)20-19(2,3)4)25(23,24)17-11-6-5-7-12-17/h5-13H,14H2,1-4H3,(H,20,22).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide?
2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide has a molecular weight of 360.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide is sourced from PubChem (CID 51345177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).