2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide

C22H30N2O3S — CID 2251303

IUPAC2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-16(2)22(17(3)4)23-21(25)15-24(19-13-11-18(5)12-14-19)28(26,27)20-9-7-6-8-10-20/h6-14,16-17,22H,15H2,1-5H3,(H,23,25)
InChIKeyPQGDMWRGNZDVQM-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.99
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide

2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide (PubChem CID 2251303) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
PubChem CID2251303
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-16(2)22(17(3)4)23-21(25)15-24(19-13-11-18(5)12-14-19)28(26,27)20-9-7-6-8-10-20/h6-14,16-17,22H,15H2,1-5H3,(H,23,25)
InChIKeyPQGDMWRGNZDVQM-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide
CID 2248872
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 126033735
N-(2,4-dimethylpentan-3-yl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 51344897
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2283139
N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2283020
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 51345314
N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 50889911
2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30303573
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 53281411
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30303633
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

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide (CID 2251303) is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide is Cc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide?
The InChIKey is PQGDMWRGNZDVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-16(2)22(17(3)4)23-21(25)15-24(19-13-11-18(5)12-14-19)28(26,27)20-9-7-6-8-10-20/h6-14,16-17,22H,15H2,1-5H3,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide?
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide has a molecular weight of 402.56 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide is sourced from PubChem (CID 2251303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).