2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide

C18H22N2O5S — CID 2206159

IUPAC2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H22N2O5S/c1-4-11-19-18(21)14-7-5-6-8-15(14)20-26(22,23)13-9-10-16(24-2)17(12-13)25-3/h5-10,12,20H,4,11H2,1-3H3,(H,19,21)
InChIKeyAKJGASBGHDUTCR-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.64
Rot. Bonds8

About 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide

2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide (PubChem CID 2206159) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide
PubChem CID2206159
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H22N2O5S/c1-4-11-19-18(21)14-7-5-6-8-15(14)20-26(22,23)13-9-10-16(24-2)17(12-13)25-3/h5-10,12,20H,4,11H2,1-3H3,(H,19,21)
InChIKeyAKJGASBGHDUTCR-UHFFFAOYSA-N
XLogP2.64
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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sivelestat sodium anhydrous
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CID 21310780
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5-Methoxy-N-((S)-1-phenyl-propyl)-2-(toluene-4-sulfonylamino)-benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide (CID 2206159) is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide?
The InChIKey is AKJGASBGHDUTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-4-11-19-18(21)14-7-5-6-8-15(14)20-26(22,23)13-9-10-16(24-2)17(12-13)25-3/h5-10,12,20H,4,11H2,1-3H3,(H,19,21).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide?
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide has a molecular weight of 378.45 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propylbenzamide is sourced from PubChem (CID 2206159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).