2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide

C20H26N2O3S — CID 113150464

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-20(2,3)17-10-12-18(13-11-17)21-19(23)15-22(26(4,24)25)14-16-8-6-5-7-9-16/h5-13H,14-15H2,1-4H3,(H,21,23)
InChIKeyLXOFTGHMICTERL-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.38
Rot. Bonds6

About 2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide

2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide (PubChem CID 113150464) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide
PubChem CID113150464
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-20(2,3)17-10-12-18(13-11-17)21-19(23)15-22(26(4,24)25)14-16-8-6-5-7-9-16/h5-13H,14-15H2,1-4H3,(H,21,23)
InChIKeyLXOFTGHMICTERL-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
CID 1315450
2-[benzyl(methylsulfonyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100799942
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 838547
N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
CID 42560660
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100515151
2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 21373045
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
2-[benzyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99967333
2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide
CID 99621516
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126093141
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide (CID 113150464) is 2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide is CC(C)(C)c1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide?
The InChIKey is LXOFTGHMICTERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-20(2,3)17-10-12-18(13-11-17)21-19(23)15-22(26(4,24)25)14-16-8-6-5-7-9-16/h5-13H,14-15H2,1-4H3,(H,21,23).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide?
2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 113150464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).