5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide

C18H22N2O5S — CID 171134322

IUPAC5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide
SMILESCCCOc1ccc(S(=O)(=O)Nc2cccc(COC)c2)cc1C(N)=O
InChIInChI=1S/C18H22N2O5S/c1-3-9-25-17-8-7-15(11-16(17)18(19)21)26(22,23)20-14-6-4-5-13(10-14)12-24-2/h4-8,10-11,20H,3,9,12H2,1-2H3,(H2,19,21)
InChIKeyZNMHBDOXMZWEGT-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.52
Rot. Bonds9

About 5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide

5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide (PubChem CID 171134322) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide.

Molecular Properties

Compound Name5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide
PubChem CID171134322
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide
SMILESCCCOc1ccc(S(=O)(=O)Nc2cccc(COC)c2)cc1C(N)=O
InChIInChI=1S/C18H22N2O5S/c1-3-9-25-17-8-7-15(11-16(17)18(19)21)26(22,23)20-14-6-4-5-13(10-14)12-24-2/h4-8,10-11,20H,3,9,12H2,1-2H3,(H2,19,21)
InChIKeyZNMHBDOXMZWEGT-UHFFFAOYSA-N
XLogP2.52
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 171134294
2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 39331258
5-[(3-chlorophenyl)sulfamoyl]-2-methoxybenzamide
CID 27243034
5-(phenylmethoxysulfamoyl)-2-propoxybenzoic acid
CID 113240417
5-(2-methylpropylsulfonyl)-2-propoxybenzamide
CID 21420407
3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 106611620
N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
CID 95050814
4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 91758551
5-(cyanomethylsulfamoyl)-2-propoxybenzoic acid
CID 61209613
2-hydroxy-5-[(3-hydroxyphenyl)sulfamoyl]benzamide
CID 130406151
2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide
CID 171134247
N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide
CID 32638750

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide?
The IUPAC name of 5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide (CID 171134322) is 5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide.
What is the SMILES notation for 5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide?
The canonical SMILES for 5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide is CCCOc1ccc(S(=O)(=O)Nc2cccc(COC)c2)cc1C(N)=O.
What is the InChIKey of 5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide?
The InChIKey is ZNMHBDOXMZWEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-3-9-25-17-8-7-15(11-16(17)18(19)21)26(22,23)20-14-6-4-5-13(10-14)12-24-2/h4-8,10-11,20H,3,9,12H2,1-2H3,(H2,19,21).
What are the key properties of 5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide?
5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide has a molecular weight of 378.45 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide is sourced from PubChem (CID 171134322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).