N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

C19H22ClN3O5S — CID 26655839

IUPACN-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCNC(C)=O)c1
InChIInChI=1S/C19H22ClN3O5S/c1-13(24)21-10-11-22-19(25)15-12-14(8-9-16(15)20)29(26,27)23(2)17-6-4-5-7-18(17)28-3/h4-9,12H,10-11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyJDWDDLZRZMVJNC-UHFFFAOYSA-N
MW439.92 g/mol
LogP2.04
Rot. Bonds8

About N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 26655839) has the molecular formula C19H22ClN3O5S and a molecular weight of 439.92 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID26655839
Molecular FormulaC19H22ClN3O5S
Molecular Weight439.92 g/mol
Exact Mass439.10
IUPAC NameN-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCNC(C)=O)c1
InChIInChI=1S/C19H22ClN3O5S/c1-13(24)21-10-11-22-19(25)15-12-14(8-9-16(15)20)29(26,27)23(2)17-6-4-5-7-18(17)28-3/h4-9,12H,10-11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyJDWDDLZRZMVJNC-UHFFFAOYSA-N
XLogP2.04
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2565072
2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 26115061
N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 38452304
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 31444413
[2-(butylamino)-2-oxoethyl] 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2614350
N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110356795
2-chloro-N-[2-(2-methoxyphenoxy)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46558858
N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46586819
2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713234
N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 37391756
N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120507374
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 41157051

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (CID 26655839) is N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCNC(C)=O)c1.
What is the InChIKey of N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is JDWDDLZRZMVJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S/c1-13(24)21-10-11-22-19(25)15-12-14(8-9-16(15)20)29(26,27)23(2)17-6-4-5-7-18(17)28-3/h4-9,12H,10-11H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 439.92 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 26655839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).