3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide

C21H28N2O4S — CID 2591009

IUPAC3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2OCC)c1
InChIInChI=1S/C21H28N2O4S/c1-4-14-23(15-5-2)28(25,26)18-11-9-10-17(16-18)21(24)22-19-12-7-8-13-20(19)27-6-3/h7-13,16H,4-6,14-15H2,1-3H3,(H,22,24)
InChIKeyAQOLALPTDPOZFM-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.15
Rot. Bonds10

About 3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide

3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide (PubChem CID 2591009) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
PubChem CID2591009
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2OCC)c1
InChIInChI=1S/C21H28N2O4S/c1-4-14-23(15-5-2)28(25,26)18-11-9-10-17(16-18)21(24)22-19-12-7-8-13-20(19)27-6-3/h7-13,16H,4-6,14-15H2,1-3H3,(H,22,24)
InChIKeyAQOLALPTDPOZFM-UHFFFAOYSA-N
XLogP4.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591093
2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid
CID 45340807
N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061947
N-(2-ethoxyphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 37311937
3-[ethyl(phenyl)sulfamoyl]-N-(2-propoxyphenyl)benzamide
CID 112793585
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
3-(dipropylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26914144
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 5082468
N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide
CID 2670766
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide?
The IUPAC name of 3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide (CID 2591009) is 3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide.
What is the SMILES notation for 3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide?
The canonical SMILES for 3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide is CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2OCC)c1.
What is the InChIKey of 3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide?
The InChIKey is AQOLALPTDPOZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-4-14-23(15-5-2)28(25,26)18-11-9-10-17(16-18)21(24)22-19-12-7-8-13-20(19)27-6-3/h7-13,16H,4-6,14-15H2,1-3H3,(H,22,24).
What are the key properties of 3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide?
3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide has a molecular weight of 404.53 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide is sourced from PubChem (CID 2591009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).