N-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide

C19H24N2O5S — CID 2947148

IUPACN-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-5-13(2)20-19(22)15-8-6-7-9-16(15)21-27(23,24)14-10-11-17(25-3)18(12-14)26-4/h6-13,21H,5H2,1-4H3,(H,20,22)
InChIKeyTXUVTFPGNZPKOR-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.03
Rot. Bonds8

About N-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide

N-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide (PubChem CID 2947148) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide
PubChem CID2947148
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-5-13(2)20-19(22)15-8-6-7-9-16(15)21-27(23,24)14-10-11-17(25-3)18(12-14)26-4/h6-13,21H,5H2,1-4H3,(H,20,22)
InChIKeyTXUVTFPGNZPKOR-UHFFFAOYSA-N
XLogP3.03
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide (CID 2947148) is N-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide is CCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide?
The InChIKey is TXUVTFPGNZPKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-5-13(2)20-19(22)15-8-6-7-9-16(15)21-27(23,24)14-10-11-17(25-3)18(12-14)26-4/h6-13,21H,5H2,1-4H3,(H,20,22).
What are the key properties of N-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide?
N-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide has a molecular weight of 392.48 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2947148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).