5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide

C23H25N3O4S — CID 41083114

IUPAC5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccccn2)c1
InChIInChI=1S/C23H25N3O4S/c1-16-12-13-18(31(28,29)26(3)21-10-5-6-11-22(21)30-4)15-19(16)23(27)25-17(2)20-9-7-8-14-24-20/h5-15,17H,1-4H3,(H,25,27)/t17-/m1/s1
InChIKeyRARQNNWFFDECOR-QGZVFWFLSA-N
MW439.54 g/mol
LogP3.71
Rot. Bonds7

About 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide

5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide (PubChem CID 41083114) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide
PubChem CID41083114
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccccn2)c1
InChIInChI=1S/C23H25N3O4S/c1-16-12-13-18(31(28,29)26(3)21-10-5-6-11-22(21)30-4)15-19(16)23(27)25-17(2)20-9-7-8-14-24-20/h5-15,17H,1-4H3,(H,25,27)/t17-/m1/s1
InChIKeyRARQNNWFFDECOR-QGZVFWFLSA-N
XLogP3.71
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide
CID 35943097
N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 38452304
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 124815303
N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 37391756
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55547983
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 43049096
N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46586819
methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate
CID 34059714
N-(4-cyanophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46797420
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 31444413

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide (CID 41083114) is 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccccn2)c1.
What is the InChIKey of 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is RARQNNWFFDECOR-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-16-12-13-18(31(28,29)26(3)21-10-5-6-11-22(21)30-4)15-19(16)23(27)25-17(2)20-9-7-8-14-24-20/h5-15,17H,1-4H3,(H,25,27)/t17-/m1/s1.
What are the key properties of 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide has a molecular weight of 439.54 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 41083114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).