3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide

C23H31N3O5S — CID 25162121

IUPAC3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)cc1
InChIInChI=1S/C23H31N3O5S/c1-3-31-21-9-7-20(8-10-21)25-32(28,29)22-17-19(6-5-18(22)2)23(27)24-11-4-12-26-13-15-30-16-14-26/h5-10,17,25H,3-4,11-16H2,1-2H3,(H,24,27)
InChIKeyXSFYHYXWVRGDRR-UHFFFAOYSA-N
MW461.58 g/mol
LogP2.65
Rot. Bonds10

About 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide

3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 25162121) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID25162121
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)cc1
InChIInChI=1S/C23H31N3O5S/c1-3-31-21-9-7-20(8-10-21)25-32(28,29)22-17-19(6-5-18(22)2)23(27)24-11-4-12-26-13-15-30-16-14-26/h5-10,17,25H,3-4,11-16H2,1-2H3,(H,24,27)
InChIKeyXSFYHYXWVRGDRR-UHFFFAOYSA-N
XLogP2.65
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55724690
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 35161549
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide
CID 35154636
N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 4785355
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 2373077
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide
CID 43021239
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2608068
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26852105
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 22108828
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide (CID 25162121) is 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is XSFYHYXWVRGDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-3-31-21-9-7-20(8-10-21)25-32(28,29)22-17-19(6-5-18(22)2)23(27)24-11-4-12-26-13-15-30-16-14-26/h5-10,17,25H,3-4,11-16H2,1-2H3,(H,24,27).
What are the key properties of 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 461.58 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 25162121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).