N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide

C23H22ClN3O4S — CID 38639374

IUPACN-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)NCc1ccccc1
InChIInChI=1S/C23H22ClN3O4S/c24-20-12-11-19(13-21(20)32(30,31)27-15-18-9-5-2-6-10-18)23(29)26-16-22(28)25-14-17-7-3-1-4-8-17/h1-13,27H,14-16H2,(H,25,28)(H,26,29)
InChIKeyTUTPCYOONVPMBR-UHFFFAOYSA-N
MW471.97 g/mol
LogP2.86
Rot. Bonds9

About N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide

N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide (PubChem CID 38639374) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
PubChem CID38639374
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)NCc1ccccc1
InChIInChI=1S/C23H22ClN3O4S/c24-20-12-11-19(13-21(20)32(30,31)27-15-18-9-5-2-6-10-18)23(29)26-16-22(28)25-14-17-7-3-1-4-8-17/h1-13,27H,14-16H2,(H,25,28)(H,26,29)
InChIKeyTUTPCYOONVPMBR-UHFFFAOYSA-N
XLogP2.86
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
CID 52563097
3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide
CID 24615553
N-benzyl-5-(2-bromoacetyl)-2-chlorobenzenesulfonamide
CID 21316702
3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide
CID 24540711
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2599452
3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide
CID 60589876
3-(benzylsulfamoyl)-4-chloro-N-[2-(2-nitroanilino)ethyl]benzamide
CID 26420445
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 24553911
3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 55638298
3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17480323

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide (CID 38639374) is N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide is O=C(CNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide?
The InChIKey is TUTPCYOONVPMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c24-20-12-11-19(13-21(20)32(30,31)27-15-18-9-5-2-6-10-18)23(29)26-16-22(28)25-14-17-7-3-1-4-8-17/h1-13,27H,14-16H2,(H,25,28)(H,26,29).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide?
N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide has a molecular weight of 471.97 g/mol, XLogP of 2.86, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide is sourced from PubChem (CID 38639374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).