N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide

C17H19N3O4S — CID 38196154

IUPACN-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C17H19N3O4S/c1-12-7-8-14(25(18,23)24)11-15(12)17(22)20-10-9-19-16(21)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)(H2,18,23,24)
InChIKeyGLPZCLRNGVZOAZ-UHFFFAOYSA-N
MW361.42 g/mol
LogP0.80
Rot. Bonds6

About N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide

N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide (PubChem CID 38196154) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
PubChem CID38196154
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C17H19N3O4S/c1-12-7-8-14(25(18,23)24)11-15(12)17(22)20-10-9-19-16(21)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)(H2,18,23,24)
InChIKeyGLPZCLRNGVZOAZ-UHFFFAOYSA-N
XLogP0.80
TPSA118.36 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 ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797230
N-[(2R)-2-methoxy-2-phenylethyl]-2-methyl-5-sulfamoylbenzamide
CID 94815936
N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide
CID 51097768
N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
CID 79079912
N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide
CID 38196368
N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide
CID 47441864
2-methyl-5-sulfamoyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 24672657
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616
2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide
CID 25336077
2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide
CID 27782394
2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-5-methylsulfonylbenzamide
CID 78779008

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide (CID 38196154) is N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCNC(=O)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide?
The InChIKey is GLPZCLRNGVZOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-12-7-8-14(25(18,23)24)11-15(12)17(22)20-10-9-19-16(21)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)(H2,18,23,24).
What are the key properties of N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide?
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide has a molecular weight of 361.42 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 38196154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).