N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C23H32N2O3S — CID 2283020

IUPACN-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccccc2C)cc1
InChIInChI=1S/C23H32N2O3S/c1-16(2)23(17(3)4)24-22(26)15-25(21-10-8-7-9-19(21)6)29(27,28)20-13-11-18(5)12-14-20/h7-14,16-17,23H,15H2,1-6H3,(H,24,26)
InChIKeyAKZFIJUIWGYLBB-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.30
Rot. Bonds8

About N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 2283020) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID2283020
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC NameN-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccccc2C)cc1
InChIInChI=1S/C23H32N2O3S/c1-16(2)23(17(3)4)24-22(26)15-25(21-10-8-7-9-19(21)6)29(27,28)20-13-11-18(5)12-14-20/h7-14,16-17,23H,15H2,1-6H3,(H,24,26)
InChIKeyAKZFIJUIWGYLBB-UHFFFAOYSA-N
XLogP4.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 125074087
N-[(2S)-3-methylbutan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 100562663
N-[(2R)-butan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 7441929
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2283139
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2251303
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92677777
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305796
N-(2,4-dimethylpentan-3-yl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 51344897
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30251011
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890127
N-(2,5-dimethylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30170327
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 2271965

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 2283020) is N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccccc2C)cc1.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is AKZFIJUIWGYLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-16(2)23(17(3)4)24-22(26)15-25(21-10-8-7-9-19(21)6)29(27,28)20-13-11-18(5)12-14-20/h7-14,16-17,23H,15H2,1-6H3,(H,24,26).
What are the key properties of N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 416.59 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 2283020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).