N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide

C22H30N2O3S — CID 133229112

IUPACN-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H30N2O3S/c1-4-6-10-18(5-2)16-23-22(25)19-14-13-17(3)21(15-19)28(26,27)24-20-11-8-7-9-12-20/h7-9,11-15,18,24H,4-6,10,16H2,1-3H3,(H,23,25)
InChIKeyFMKSKMSLJPNUCY-UHFFFAOYSA-N
MW402.56 g/mol
LogP4.74
Rot. Bonds10

About N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide

N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide (PubChem CID 133229112) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide
PubChem CID133229112
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H30N2O3S/c1-4-6-10-18(5-2)16-23-22(25)19-14-13-17(3)21(15-19)28(26,27)24-20-11-8-7-9-12-20/h7-9,11-15,18,24H,4-6,10,16H2,1-3H3,(H,23,25)
InChIKeyFMKSKMSLJPNUCY-UHFFFAOYSA-N
XLogP4.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
CID 961836
N-[(2S)-2-ethylhexyl]-4-iodobenzamide
CID 95356323
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696
N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 46764508
3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide
CID 17226785
N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126385435
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide
CID 55334750
N-[(2R)-2-ethylhexyl]-3-methylsulfonylbenzamide
CID 36616680

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide (CID 133229112) is N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide is CCCCC(CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The InChIKey is FMKSKMSLJPNUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-4-6-10-18(5-2)16-23-22(25)19-14-13-17(3)21(15-19)28(26,27)24-20-11-8-7-9-12-20/h7-9,11-15,18,24H,4-6,10,16H2,1-3H3,(H,23,25).
What are the key properties of N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide has a molecular weight of 402.56 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 133229112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).