3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide

C22H30N2O4S — CID 26457205

IUPAC3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2cc(C)ccc2OC)ccc1C
InChIInChI=1S/C22H30N2O4S/c1-6-24(7-2)29(26,27)21-15-19(10-9-17(21)4)22(25)23-13-12-18-14-16(3)8-11-20(18)28-5/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,23,25)
InChIKeyNVBDXEWWHNRJMS-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.32
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide

3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide (PubChem CID 26457205) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide
PubChem CID26457205
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2cc(C)ccc2OC)ccc1C
InChIInChI=1S/C22H30N2O4S/c1-6-24(7-2)29(26,27)21-15-19(10-9-17(21)4)22(25)23-13-12-18-14-16(3)8-11-20(18)28-5/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,23,25)
InChIKeyNVBDXEWWHNRJMS-UHFFFAOYSA-N
XLogP3.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55396010
3-(diethylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 26414114
4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 26458889
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
CID 112795580
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 18159614
N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119420241
3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
CID 27680531
4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9050026
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate
CID 55609572
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide (CID 26457205) is 3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2cc(C)ccc2OC)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide?
The InChIKey is NVBDXEWWHNRJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-6-24(7-2)29(26,27)21-15-19(10-9-17(21)4)22(25)23-13-12-18-14-16(3)8-11-20(18)28-5/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,23,25).
What are the key properties of 3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide?
3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide has a molecular weight of 418.56 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 26457205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).