N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide

C16H21N5O4S — CID 77088639

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide
SMILESCN(C)C(=O)CNC(=O)c1cccc(S(=O)(=O)NCCn2ccnc2)c1
InChIInChI=1S/C16H21N5O4S/c1-20(2)15(22)11-18-16(23)13-4-3-5-14(10-13)26(24,25)19-7-9-21-8-6-17-12-21/h3-6,8,10,12,19H,7,9,11H2,1-2H3,(H,18,23)
InChIKeyKGSNPCNXKAEURH-UHFFFAOYSA-N
MW379.44 g/mol
LogP-0.32
Rot. Bonds8

About N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide

N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide (PubChem CID 77088639) has the molecular formula C16H21N5O4S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide
PubChem CID77088639
Molecular FormulaC16H21N5O4S
Molecular Weight379.44 g/mol
Exact Mass379.13
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide
SMILESCN(C)C(=O)CNC(=O)c1cccc(S(=O)(=O)NCCn2ccnc2)c1
InChIInChI=1S/C16H21N5O4S/c1-20(2)15(22)11-18-16(23)13-4-3-5-14(10-13)26(24,25)19-7-9-21-8-6-17-12-21/h3-6,8,10,12,19H,7,9,11H2,1-2H3,(H,18,23)
InChIKeyKGSNPCNXKAEURH-UHFFFAOYSA-N
XLogP-0.32
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 77088154
3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513232
3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235
N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide
CID 110446281
3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 55771311
3-[(2-imidazol-1-ylethylamino)methyl]-N,N-dimethylbenzamide
CID 139020115
N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 74246850
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109063983
3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide
CID 51162141
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53314248

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide (CID 77088639) is N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide is CN(C)C(=O)CNC(=O)c1cccc(S(=O)(=O)NCCn2ccnc2)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide?
The InChIKey is KGSNPCNXKAEURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4S/c1-20(2)15(22)11-18-16(23)13-4-3-5-14(10-13)26(24,25)19-7-9-21-8-6-17-12-21/h3-6,8,10,12,19H,7,9,11H2,1-2H3,(H,18,23).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide?
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide has a molecular weight of 379.44 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 77088639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).