2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide

C20H26N2O3S — CID 2270999

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide
SMILESCc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-15-11-12-18(16(2)13-15)22(14-19(23)21-20(3,4)5)26(24,25)17-9-7-6-8-10-17/h6-13H,14H2,1-5H3,(H,21,23)
InChIKeyHDLWTIMNJUMXAQ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.41
Rot. Bonds5

About 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide (PubChem CID 2270999) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide
PubChem CID2270999
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide
SMILESCc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-15-11-12-18(16(2)13-15)22(14-19(23)21-20(3,4)5)26(24,25)17-9-7-6-8-10-17/h6-13H,14H2,1-5H3,(H,21,23)
InChIKeyHDLWTIMNJUMXAQ-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2271193
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 1095221
2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide
CID 51345177
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
CID 1335965
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343222
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide
CID 1361630
N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 2253626
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 4546563
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170439
(2R)-2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]-[(2-methylphenyl)methyl]amino]-N-tert-butylpropanamide
CID 125093017
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide
CID 2856819
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 92672309

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide (CID 2270999) is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide is Cc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide?
The InChIKey is HDLWTIMNJUMXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-11-12-18(16(2)13-15)22(14-19(23)21-20(3,4)5)26(24,25)17-9-7-6-8-10-17/h6-13H,14H2,1-5H3,(H,21,23).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide?
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide has a molecular weight of 374.51 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide is sourced from PubChem (CID 2270999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).