N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide

C22H30N4O4S — CID 25353442

IUPACN-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)CN(C)C(=O)c2ccccc2)c1
InChIInChI=1S/C22H30N4O4S/c1-6-26(7-2)31(29,30)18-13-14-20(24(3)4)19(15-18)23-21(27)16-25(5)22(28)17-11-9-8-10-12-17/h8-15H,6-7,16H2,1-5H3,(H,23,27)
InChIKeyWCCABRBNSMDGJO-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.49
Rot. Bonds9

About N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide

N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 25353442) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide
PubChem CID25353442
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC NameN-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)CN(C)C(=O)c2ccccc2)c1
InChIInChI=1S/C22H30N4O4S/c1-6-26(7-2)31(29,30)18-13-14-20(24(3)4)19(15-18)23-21(27)16-25(5)22(28)17-11-9-8-10-12-17/h8-15H,6-7,16H2,1-5H3,(H,23,27)
InChIKeyWCCABRBNSMDGJO-UHFFFAOYSA-N
XLogP2.49
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide
CID 8960845
N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide
CID 30659892
2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
CID 8901118
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 39975511
3-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 27793329
(2S,3S)-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51858919
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pentanamide
CID 55330958
3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide
CID 119949036
3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 2504240
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4830026
N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 41297263
N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide
CID 26438932

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide (CID 25353442) is N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)CN(C)C(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is WCCABRBNSMDGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-6-26(7-2)31(29,30)18-13-14-20(24(3)4)19(15-18)23-21(27)16-25(5)22(28)17-11-9-8-10-12-17/h8-15H,6-7,16H2,1-5H3,(H,23,27).
What are the key properties of N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide?
N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 446.57 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 25353442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).