N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide

C24H25N3O6S — CID 43049096

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(OCC(N)=O)c2)c1
InChIInChI=1S/C24H25N3O6S/c1-16-11-12-19(34(30,31)27(2)21-9-4-5-10-22(21)32-3)14-20(16)24(29)26-17-7-6-8-18(13-17)33-15-23(25)28/h4-14H,15H2,1-3H3,(H2,25,28)(H,26,29)
InChIKeyUVOFTXAJYQRKKB-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.95
Rot. Bonds9

About N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide (PubChem CID 43049096) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
PubChem CID43049096
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(OCC(N)=O)c2)c1
InChIInChI=1S/C24H25N3O6S/c1-16-11-12-19(34(30,31)27(2)21-9-4-5-10-22(21)32-3)14-20(16)24(29)26-17-7-6-8-18(13-17)33-15-23(25)28/h4-14H,15H2,1-3H3,(H2,25,28)(H,26,29)
InChIKeyUVOFTXAJYQRKKB-UHFFFAOYSA-N
XLogP2.95
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate
CID 34059714
N-[4-[(2-methoxyacetyl)amino]phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 35332560
N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 38452304
N-(4-cyanophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46797420
N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120507374
N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46586819
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 41083114
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 31444413
N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 37391756
4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 24661370
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55547983
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-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide (CID 43049096) is N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(OCC(N)=O)c2)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
The InChIKey is UVOFTXAJYQRKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-16-11-12-19(34(30,31)27(2)21-9-4-5-10-22(21)32-3)14-20(16)24(29)26-17-7-6-8-18(13-17)33-15-23(25)28/h4-14H,15H2,1-3H3,(H2,25,28)(H,26,29).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide has a molecular weight of 483.55 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 43049096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).