2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide

C12H18N2O6S — CID 61068031

IUPAC2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCS(N)(=O)=O)c(OC)c1OC
InChIInChI=1S/C12H18N2O6S/c1-18-9-5-4-8(10(19-2)11(9)20-3)12(15)14-6-7-21(13,16)17/h4-5H,6-7H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyMOGPOCTUFGCBHN-UHFFFAOYSA-N
MW318.35 g/mol
LogP-0.27
Rot. Bonds7

About 2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide

2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide (PubChem CID 61068031) has the molecular formula C12H18N2O6S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide
PubChem CID61068031
Molecular FormulaC12H18N2O6S
Molecular Weight318.35 g/mol
Exact Mass318.09
IUPAC Name2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCS(N)(=O)=O)c(OC)c1OC
InChIInChI=1S/C12H18N2O6S/c1-18-9-5-4-8(10(19-2)11(9)20-3)12(15)14-6-7-21(13,16)17/h4-5H,6-7H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyMOGPOCTUFGCBHN-UHFFFAOYSA-N
XLogP-0.27
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-methyl-N-(2-sulfamoylethyl)benzamide
CID 61066846
N-(2-cyanoethyl)-2,3,4-trimethoxybenzamide
CID 55023434
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide
CID 47038001
N-(3-cyanopropyl)-2,3,4-trimethoxybenzamide
CID 62667011
2-chloro-6-methoxy-N-(2-sulfamoylethyl)benzamide
CID 138016679
ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate
CID 60816133
2,3,4-trimethoxy-N-prop-2-enylbenzamide
CID 7971428
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336
N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide
CID 32775718
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
N-(2-sulfamoylethyl)naphthalene-1-carboxamide
CID 61067529

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide (CID 61068031) is 2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide is COc1ccc(C(=O)NCCS(N)(=O)=O)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide?
The InChIKey is MOGPOCTUFGCBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6S/c1-18-9-5-4-8(10(19-2)11(9)20-3)12(15)14-6-7-21(13,16)17/h4-5H,6-7H2,1-3H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide?
2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide has a molecular weight of 318.35 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide is sourced from PubChem (CID 61068031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).