N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide

C15H24N2O3S — CID 113069223

IUPACN-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
SMILESCCc1ccc(N(CCNC(=O)C(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-13-6-8-14(9-7-13)17(21(4,19)20)11-10-16-15(18)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,16,18)
InChIKeyWOSPYKOPFIXDFY-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.79
Rot. Bonds7

About N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide

N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide (PubChem CID 113069223) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
PubChem CID113069223
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
SMILESCCc1ccc(N(CCNC(=O)C(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-13-6-8-14(9-7-13)17(21(4,19)20)11-10-16-15(18)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,16,18)
InChIKeyWOSPYKOPFIXDFY-UHFFFAOYSA-N
XLogP1.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
CID 113071351
3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113142775
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113071997
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069288
2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide
CID 113068604
4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53286515
N-[2-(4-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070321
2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154143
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113072223
N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide
CID 113071325
2-[(4-bromophenyl)methyl-[2-(4-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide
CID 132624981

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide (CID 113069223) is N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide is CCc1ccc(N(CCNC(=O)C(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
The InChIKey is WOSPYKOPFIXDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-13-6-8-14(9-7-13)17(21(4,19)20)11-10-16-15(18)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,16,18).
What are the key properties of N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide has a molecular weight of 312.44 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 113069223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).