2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide

C19H24N2O3S — CID 2252317

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)20-18(22)15-21(14-16-10-6-4-7-11-16)25(23,24)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3,(H,20,22)
InChIKeyQOSNNYUNIVVPEX-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.79
Rot. Bonds6

About 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide

2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide (PubChem CID 2252317) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide
PubChem CID2252317
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)20-18(22)15-21(14-16-10-6-4-7-11-16)25(23,24)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3,(H,20,22)
InChIKeyQOSNNYUNIVVPEX-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxamate 17
CID 23645529
Hydroxamate 23
CID 23645530
N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833
N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-N-Methylbenzenesulfonamide
CID 66553086
2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2229748
N-Benzyl-2-((phenylmethyl)sulfonamido)acetamide
CID 9104171
N-[(2S)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 16242636
3-[Benzenesulfonyl(benzyl)amino]propanamide
CID 808580
N~2~-benzyl-N~1~-[2-(1-cyclohexen-1-yl)ethyl]-N~2~-[(4-fluorophenyl)sulfonyl]glycinamide
CID 2301453
1-(4-Fluoro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid 4-methyl-benzylamide
CID 3219590
2-Ethyl-N-(4-sulfamoylbenzyl)butyramide
CID 4656684
1-(4-Fluoro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid 2-fluoro-benzylamide
CID 18144558

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide (CID 2252317) is 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide?
The InChIKey is QOSNNYUNIVVPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2,3)20-18(22)15-21(14-16-10-6-4-7-11-16)25(23,24)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3,(H,20,22).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide?
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide has a molecular weight of 360.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 2252317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).