N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide

C18H22N2O5S — CID 71346631

IUPACN-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)C(C)C)c(OC)c1
InChIInChI=1S/C18H22N2O5S/c1-12(2)26(22,23)20-15-8-6-5-7-14(15)18(21)19-16-10-9-13(24-3)11-17(16)25-4/h5-12,20H,1-4H3,(H,19,21)
InChIKeyOAXIVBNQZBLZDD-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.11
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide

N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide (PubChem CID 71346631) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide
PubChem CID71346631
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)C(C)C)c(OC)c1
InChIInChI=1S/C18H22N2O5S/c1-12(2)26(22,23)20-15-8-6-5-7-14(15)18(21)19-16-10-9-13(24-3)11-17(16)25-4/h5-12,20H,1-4H3,(H,19,21)
InChIKeyOAXIVBNQZBLZDD-UHFFFAOYSA-N
XLogP3.11
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2374439
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide
CID 7603183
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2683748
2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
CID 4233924
N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide
CID 71346608
2-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 1266369
N-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 18104674
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1289212
N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide
CID 71346601
2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide
CID 15296782

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide (CID 71346631) is N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide is COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)C(C)C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is OAXIVBNQZBLZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-12(2)26(22,23)20-15-8-6-5-7-14(15)18(21)19-16-10-9-13(24-3)11-17(16)25-4/h5-12,20H,1-4H3,(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide?
N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 378.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 71346631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).