3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide

C22H29N3O5S — CID 43002495

IUPAC3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCOCC3)c2)cc1
InChIInChI=1S/C22H29N3O5S/c1-24(19-7-9-20(29-2)10-8-19)31(27,28)21-6-3-5-18(17-21)22(26)23-11-4-12-25-13-15-30-16-14-25/h3,5-10,17H,4,11-16H2,1-2H3,(H,23,26)
InChIKeyCOPYKTRDNQTUKG-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.97
Rot. Bonds9

About 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 43002495) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID43002495
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCOCC3)c2)cc1
InChIInChI=1S/C22H29N3O5S/c1-24(19-7-9-20(29-2)10-8-19)31(27,28)21-6-3-5-18(17-21)22(26)23-11-4-12-25-13-15-30-16-14-25/h3,5-10,17H,4,11-16H2,1-2H3,(H,23,26)
InChIKeyCOPYKTRDNQTUKG-UHFFFAOYSA-N
XLogP1.97
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.97
H-Bond Donors ≤ 51
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)-methylsulfamoyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 31093187
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55725093
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 43057948
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 92649125
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 43017063
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 27646633

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 43002495) is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCOCC3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is COPYKTRDNQTUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-24(19-7-9-20(29-2)10-8-19)31(27,28)21-6-3-5-18(17-21)22(26)23-11-4-12-25-13-15-30-16-14-25/h3,5-10,17H,4,11-16H2,1-2H3,(H,23,26).
What are the key properties of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 447.56 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 43002495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).