4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide

C22H30N2O4S — CID 54233472

IUPAC4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCc2cccc(OC)c2)cc1
InChIInChI=1S/C22H30N2O4S/c1-4-15-24(16-5-2)29(26,27)21-11-9-19(10-12-21)22(25)23-14-13-18-7-6-8-20(17-18)28-3/h6-12,17H,4-5,13-16H2,1-3H3,(H,23,25)
InChIKeyQKXDCBHTVXFOML-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.48
Rot. Bonds11

About 4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide

4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 54233472) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID54233472
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCc2cccc(OC)c2)cc1
InChIInChI=1S/C22H30N2O4S/c1-4-15-24(16-5-2)29(26,27)21-11-9-19(10-12-21)22(25)23-14-13-18-7-6-8-20(17-18)28-3/h6-12,17H,4-5,13-16H2,1-3H3,(H,23,25)
InChIKeyQKXDCBHTVXFOML-UHFFFAOYSA-N
XLogP3.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 109058710
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
(3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 46548136
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109098644
ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate
CID 70622907
5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47041883
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide (CID 54233472) is 4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCc2cccc(OC)c2)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is QKXDCBHTVXFOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-4-15-24(16-5-2)29(26,27)21-11-9-19(10-12-21)22(25)23-14-13-18-7-6-8-20(17-18)28-3/h6-12,17H,4-5,13-16H2,1-3H3,(H,23,25).
What are the key properties of 4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 418.56 g/mol, XLogP of 3.48, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 54233472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).