N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide

C14H21NO4S — CID 54774387

IUPACN-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H21NO4S/c1-14(2,3)13(16)15-9-10-20(17,18)12-7-5-11(19-4)6-8-12/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyDEJNKOZLNXIZPP-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.63
Rot. Bonds5

About N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide

N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide (PubChem CID 54774387) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide
PubChem CID54774387
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H21NO4S/c1-14(2,3)13(16)15-9-10-20(17,18)12-7-5-11(19-4)6-8-12/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyDEJNKOZLNXIZPP-UHFFFAOYSA-N
XLogP1.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol
CID 139892733
1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea
CID 54774396
N-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide
CID 14441156
4-(4-methoxyphenyl)sulfonyl-2-methylbutan-2-amine
CID 117036317
3-(4-tert-butylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 110410220
3-(4-methoxyphenyl)sulfonylpropan-1-ol
CID 18411970
tert-butyl N-[2-(4-methylphenyl)sulfonylethyl]carbamate
CID 67213765
4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
CID 54774411
5-tert-butyl-N-[2-(4-methoxyphenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 46977166
N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide
CID 46975216
1-butylsulfonyl-4-methoxybenzene
CID 12696371

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide (CID 54774387) is N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide is COc1ccc(S(=O)(=O)CCNC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide?
The InChIKey is DEJNKOZLNXIZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-14(2,3)13(16)15-9-10-20(17,18)12-7-5-11(19-4)6-8-12/h5-8H,9-10H2,1-4H3,(H,15,16).
What are the key properties of N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide?
N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide has a molecular weight of 299.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 54774387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).