4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide

C18H22N2O5S — CID 55706676

IUPAC4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
SMILESCONS(=O)(=O)c1ccc(C(=O)NCCCOc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O5S/c1-14-5-3-6-16(13-14)25-12-4-11-19-18(21)15-7-9-17(10-8-15)26(22,23)20-24-2/h3,5-10,13,20H,4,11-12H2,1-2H3,(H,19,21)
InChIKeyDQOAROYXORRKMY-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.03
Rot. Bonds9

About 4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide

4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide (PubChem CID 55706676) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide.

Molecular Properties

Compound Name4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
PubChem CID55706676
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
SMILESCONS(=O)(=O)c1ccc(C(=O)NCCCOc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O5S/c1-14-5-3-6-16(13-14)25-12-4-11-19-18(21)15-7-9-17(10-8-15)26(22,23)20-24-2/h3,5-10,13,20H,4,11-12H2,1-2H3,(H,19,21)
InChIKeyDQOAROYXORRKMY-UHFFFAOYSA-N
XLogP2.03
TPSA93.73 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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27859389
N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30853178
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
N-[3-(3-methylphenoxy)propyl]-4-[(R)-methylsulfinyl]benzamide
CID 30299875
N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide
CID 24533410
4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 43017529
N-[3-(3-methylphenoxy)propyl]-3-(methylsulfonylmethyl)benzamide
CID 27040363
4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 102851528
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
N-[2-(3-bromophenoxy)ethyl]-4-(methylsulfamoyl)benzamide
CID 55976141
4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27021904
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381

Frequently Asked Questions

What is the IUPAC name of 4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide?
The IUPAC name of 4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide (CID 55706676) is 4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide.
What is the SMILES notation for 4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide?
The canonical SMILES for 4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide is CONS(=O)(=O)c1ccc(C(=O)NCCCOc2cccc(C)c2)cc1.
What is the InChIKey of 4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide?
The InChIKey is DQOAROYXORRKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-14-5-3-6-16(13-14)25-12-4-11-19-18(21)15-7-9-17(10-8-15)26(22,23)20-24-2/h3,5-10,13,20H,4,11-12H2,1-2H3,(H,19,21).
What are the key properties of 4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide?
4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide is sourced from PubChem (CID 55706676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).