2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide

C23H32N2O4S — CID 98660643

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H32N2O4S/c1-22(2,3)17-23(4,5)24-21(26)16-25(18-12-14-19(29-6)15-13-18)30(27,28)20-10-8-7-9-11-20/h7-15H,16-17H2,1-6H3,(H,24,26)
InChIKeyFVFZLUSSGVDQCD-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.22
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 98660643) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID98660643
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H32N2O4S/c1-22(2,3)17-23(4,5)24-21(26)16-25(18-12-14-19(29-6)15-13-18)30(27,28)20-10-8-7-9-11-20/h7-15H,16-17H2,1-6H3,(H,24,26)
InChIKeyFVFZLUSSGVDQCD-UHFFFAOYSA-N
XLogP4.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 2249335
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 5340275
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133210038
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide
CID 3111589
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30303633
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6367634
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-phenylacetamide
CID 1334368
2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4882632
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43901953
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304312
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126138621
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 978493

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 98660643) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide is COc1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is FVFZLUSSGVDQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-22(2,3)17-23(4,5)24-21(26)16-25(18-12-14-19(29-6)15-13-18)30(27,28)20-10-8-7-9-11-20/h7-15H,16-17H2,1-6H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 432.59 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 98660643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).