N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide

C17H19N3O4S — CID 59768002

IUPACN-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
SMILESCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19N3O4S/c1-18-17(22)20-25(23,24)15-9-7-13(8-10-15)11-12-19-16(21)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyHJIUEFTYRSSNOY-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.28
Rot. Bonds6

About N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide

N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide (PubChem CID 59768002) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
PubChem CID59768002
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
SMILESCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19N3O4S/c1-18-17(22)20-25(23,24)15-9-7-13(8-10-15)11-12-19-16(21)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyHJIUEFTYRSSNOY-UHFFFAOYSA-N
XLogP1.28
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051809
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide
CID 3438717
4-(butylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 109058705
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774274
2-[[5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]ethyl acetate
CID 19970564
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide?
The IUPAC name of N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide (CID 59768002) is N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide is CNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide?
The InChIKey is HJIUEFTYRSSNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-18-17(22)20-25(23,24)15-9-7-13(8-10-15)11-12-19-16(21)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide?
N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide has a molecular weight of 361.42 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 59768002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).