N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide

C19H23NO4S — CID 39862674

IUPACN-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C19H23NO4S/c1-4-25(22,23)18-10-8-16(9-11-18)20-19(21)15-6-5-7-17(12-15)24-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21)
InChIKeyXCDNTQJXDUZDPD-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.77
Rot. Bonds7

About N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide

N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide (PubChem CID 39862674) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide
PubChem CID39862674
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C19H23NO4S/c1-4-25(22,23)18-10-8-16(9-11-18)20-19(21)15-6-5-7-17(12-15)24-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21)
InChIKeyXCDNTQJXDUZDPD-UHFFFAOYSA-N
XLogP3.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide
CID 17140257
3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17140290
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7491837
2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224311
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140621
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727275
3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide
CID 43429540

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide (CID 39862674) is N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide is CCS(=O)(=O)c1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide?
The InChIKey is XCDNTQJXDUZDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-4-25(22,23)18-10-8-16(9-11-18)20-19(21)15-6-5-7-17(12-15)24-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21).
What are the key properties of N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide?
N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide has a molecular weight of 361.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 39862674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).