N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide

C23H33N3O5S2 — CID 16562748

IUPACN-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C23H33N3O5S2/c1-6-25(7-2)22-14-13-20(33(30,31)26(8-3)9-4)16-21(22)24-23(27)19-12-10-11-18(15-19)17-32(5,28)29/h10-16H,6-9,17H2,1-5H3,(H,24,27)
InChIKeyWVPMWYNWFJQHSO-UHFFFAOYSA-N
MW495.67 g/mol
LogP3.36
Rot. Bonds11

About N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide

N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 16562748) has the molecular formula C23H33N3O5S2 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID16562748
Molecular FormulaC23H33N3O5S2
Molecular Weight495.67 g/mol
Exact Mass495.19
IUPAC NameN-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C23H33N3O5S2/c1-6-25(7-2)22-14-13-20(33(30,31)26(8-3)9-4)16-21(22)24-23(27)19-12-10-11-18(15-19)17-32(5,28)29/h10-16H,6-9,17H2,1-5H3,(H,24,27)
InChIKeyWVPMWYNWFJQHSO-UHFFFAOYSA-N
XLogP3.36
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3547247
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26880756
N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide
CID 8960845
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide
CID 46511241
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pentanamide
CID 55330958
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 39753944
N-[3-(diethylsulfamoyl)phenyl]-3-(methoxymethyl)benzamide
CID 8777307
N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide
CID 26438932
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 55330865

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide (CID 16562748) is N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide is CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc(CS(C)(=O)=O)c1.
What is the InChIKey of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is WVPMWYNWFJQHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5S2/c1-6-25(7-2)22-14-13-20(33(30,31)26(8-3)9-4)16-21(22)24-23(27)19-12-10-11-18(15-19)17-32(5,28)29/h10-16H,6-9,17H2,1-5H3,(H,24,27).
What are the key properties of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide?
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 495.67 g/mol, XLogP of 3.36, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 16562748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).