N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide

C19H22ClN3O4S — CID 55659290

IUPACN-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H22ClN3O4S/c1-3-23-28(26,27)14-9-8-13(2)16(12-14)19(25)22-11-10-21-18(24)15-6-4-5-7-17(15)20/h4-9,12,23H,3,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyXJQUXDUCHSUKBE-UHFFFAOYSA-N
MW423.92 g/mol
LogP2.11
Rot. Bonds8

About N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide

N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 55659290) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID55659290
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC NameN-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H22ClN3O4S/c1-3-23-28(26,27)14-9-8-13(2)16(12-14)19(25)22-11-10-21-18(24)15-6-4-5-7-17(15)20/h4-9,12,23H,3,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyXJQUXDUCHSUKBE-UHFFFAOYSA-N
XLogP2.11
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 52.11
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-chlorophenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35345609
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119640149
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 46799014
N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 87020519
N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 36556440
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55464121

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide (CID 55659290) is N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCNC(=O)c2ccccc2Cl)c1.
What is the InChIKey of N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is XJQUXDUCHSUKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c1-3-23-28(26,27)14-9-8-13(2)16(12-14)19(25)22-11-10-21-18(24)15-6-4-5-7-17(15)20/h4-9,12,23H,3,10-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 423.92 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 55659290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).