N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide

C14H23NO3S — CID 110781946

IUPACN-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc(OCC)c(C)c1
InChIInChI=1S/C14H23NO3S/c1-4-6-9-19(16,17)15-11-13-7-8-14(18-5-2)12(3)10-13/h7-8,10,15H,4-6,9,11H2,1-3H3
InChIKeyOGANISVSSLOSMS-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.61
Rot. Bonds8

About N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide

N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide (PubChem CID 110781946) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide
PubChem CID110781946
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc(OCC)c(C)c1
InChIInChI=1S/C14H23NO3S/c1-4-6-9-19(16,17)15-11-13-7-8-14(18-5-2)12(3)10-13/h7-8,10,15H,4-6,9,11H2,1-3H3
InChIKeyOGANISVSSLOSMS-UHFFFAOYSA-N
XLogP2.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
CID 8891740
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide
CID 43246908
N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779830
N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide
CID 110781060
N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 22206211
N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide
CID 110782030
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide
CID 47371399
N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110782026
N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110779823
N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206221
N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide
CID 110783047

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide (CID 110781946) is N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1ccc(OCC)c(C)c1.
What is the InChIKey of N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide?
The InChIKey is OGANISVSSLOSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-6-9-19(16,17)15-11-13-7-8-14(18-5-2)12(3)10-13/h7-8,10,15H,4-6,9,11H2,1-3H3.
What are the key properties of N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide?
N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 110781946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).