3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide

C19H22N2O5S — CID 27174310

IUPAC3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-16-7-9-17(10-8-16)26-12-11-20-19(22)14-3-2-4-18(13-14)27(23,24)21-15-5-6-15/h2-4,7-10,13,15,21H,5-6,11-12H2,1H3,(H,20,22)
InChIKeyLDKGGOAEJMBFSL-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.94
Rot. Bonds9

About 3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide

3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide (PubChem CID 27174310) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide
PubChem CID27174310
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-16-7-9-17(10-8-16)26-12-11-20-19(22)14-3-2-4-18(13-14)27(23,24)21-15-5-6-15/h2-4,7-10,13,15,21H,5-6,11-12H2,1H3,(H,20,22)
InChIKeyLDKGGOAEJMBFSL-UHFFFAOYSA-N
XLogP1.94
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
CID 109051864
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592
N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
CID 119405427
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
3-(cyclopropylsulfamoyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 18189816
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119495504
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55951436

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide (CID 27174310) is 3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide is COc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The InChIKey is LDKGGOAEJMBFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-16-7-9-17(10-8-16)26-12-11-20-19(22)14-3-2-4-18(13-14)27(23,24)21-15-5-6-15/h2-4,7-10,13,15,21H,5-6,11-12H2,1H3,(H,20,22).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 27174310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).