2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide

C17H19NO6S — CID 1259994

IUPAC2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CS(=O)(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H19NO6S/c1-22-14-9-12(10-15(23-2)17(14)24-3)18-16(19)11-25(20,21)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyOOPXFGMJIDVYCC-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.12
Rot. Bonds7

About 2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 1259994) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID1259994
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Name2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CS(=O)(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H19NO6S/c1-22-14-9-12(10-15(23-2)17(14)24-3)18-16(19)11-25(20,21)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyOOPXFGMJIDVYCC-UHFFFAOYSA-N
XLogP2.12
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 1259994) is 2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CS(=O)(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is OOPXFGMJIDVYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-22-14-9-12(10-15(23-2)17(14)24-3)18-16(19)11-25(20,21)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of 2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 365.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 1259994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).