N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C20H26N2O3S — CID 4610141

IUPACN-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15-6-10-17(11-7-15)22(14-19(23)21-20(3,4)5)26(24,25)18-12-8-16(2)9-13-18/h6-13H,14H2,1-5H3,(H,21,23)
InChIKeyRFVYIVISOWJARC-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.41
Rot. Bonds5

About N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 4610141) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID4610141
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15-6-10-17(11-7-15)22(14-19(23)21-20(3,4)5)26(24,25)18-12-8-16(2)9-13-18/h6-13H,14H2,1-5H3,(H,21,23)
InChIKeyRFVYIVISOWJARC-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

N-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30255712
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 53279303
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 92684237
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 51345314
2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide
CID 51345177
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51345316
N-tert-butyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 50760200
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172029
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 58978369
N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 50889911
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
CID 21371767

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 4610141) is N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is RFVYIVISOWJARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-6-10-17(11-7-15)22(14-19(23)21-20(3,4)5)26(24,25)18-12-8-16(2)9-13-18/h6-13H,14H2,1-5H3,(H,21,23).
What are the key properties of N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide 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 N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 4610141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).