4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide

C19H24N2O5S — CID 2224678

IUPAC4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H24N2O5S/c1-21(27(23,24)18-11-9-17(26-3)10-12-18)16-7-5-15(6-8-16)19(22)20-13-4-14-25-2/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyBXNPXPQTPRFYFD-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.29
Rot. Bonds9

About 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide

4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide (PubChem CID 2224678) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide
PubChem CID2224678
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H24N2O5S/c1-21(27(23,24)18-11-9-17(26-3)10-12-18)16-7-5-15(6-8-16)19(22)20-13-4-14-25-2/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyBXNPXPQTPRFYFD-UHFFFAOYSA-N
XLogP2.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[[4-[(4-methoxyphenyl)sulfonyl-methylamino]benzoyl]amino]benzamide
CID 2225095
4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 110417973
N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 53280023
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580
N-(4-ethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265486
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227381
N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 53280039

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide (CID 2224678) is 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide?
The InChIKey is BXNPXPQTPRFYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-21(27(23,24)18-11-9-17(26-3)10-12-18)16-7-5-15(6-8-16)19(22)20-13-4-14-25-2/h5-12H,4,13-14H2,1-3H3,(H,20,22).
What are the key properties of 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide?
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide has a molecular weight of 392.48 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 2224678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).