N-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide

C16H26N2O3S — CID 86788485

IUPACN-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide
SMILESCN(C)S(=O)(=O)CC(=O)NCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-16(2,3)14-8-6-13(7-9-14)10-11-17-15(19)12-22(20,21)18(4)5/h6-9H,10-12H2,1-5H3,(H,17,19)
InChIKeyFPBUQBYATSZEKP-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.53
Rot. Bonds6

About N-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide

N-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide (PubChem CID 86788485) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide
PubChem CID86788485
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide
SMILESCN(C)S(=O)(=O)CC(=O)NCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-16(2,3)14-8-6-13(7-9-14)10-11-17-15(19)12-22(20,21)18(4)5/h6-9H,10-12H2,1-5H3,(H,17,19)
InChIKeyFPBUQBYATSZEKP-UHFFFAOYSA-N
XLogP1.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide
CID 115158005
3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide
CID 87037217
7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
CID 119706715
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
(2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119706734
2-[(4-tert-butylphenyl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335316
2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 109001296
4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110307736
4-[2-[(2-propylsulfonylacetyl)amino]ethyl]benzoic acid
CID 119168684
N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86829297
N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine
CID 142885264
2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide
CID 113170587

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide (CID 86788485) is N-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide is CN(C)S(=O)(=O)CC(=O)NCCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide?
The InChIKey is FPBUQBYATSZEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-16(2,3)14-8-6-13(7-9-14)10-11-17-15(19)12-22(20,21)18(4)5/h6-9H,10-12H2,1-5H3,(H,17,19).
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide?
N-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide has a molecular weight of 326.46 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide is sourced from PubChem (CID 86788485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).