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

C22H29N3O5S — CID 126479402

IUPAC4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H29N3O5S/c1-29-20-7-9-21(10-8-20)31(27,28)24-17-18-3-5-19(6-4-18)22(26)23-11-2-12-25-13-15-30-16-14-25/h3-10,24H,2,11-17H2,1H3,(H,23,26)
InChIKeyYOIZGEFHFVLQOC-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.63
Rot. Bonds10

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

4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 126479402) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID126479402
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H29N3O5S/c1-29-20-7-9-21(10-8-20)31(27,28)24-17-18-3-5-19(6-4-18)22(26)23-11-2-12-25-13-15-30-16-14-25/h3-10,24H,2,11-17H2,1H3,(H,23,26)
InChIKeyYOIZGEFHFVLQOC-UHFFFAOYSA-N
XLogP1.63
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.63
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

4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 20854193
N-(2-methoxyethyl)-4-(2-morpholin-4-ylethylsulfamoyl)benzamide
CID 109059683
4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 28563195
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548773
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 126479402) is 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide is COc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is YOIZGEFHFVLQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-29-20-7-9-21(10-8-20)31(27,28)24-17-18-3-5-19(6-4-18)22(26)23-11-2-12-25-13-15-30-16-14-25/h3-10,24H,2,11-17H2,1H3,(H,23,26).
What are the key properties of 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 447.56 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 126479402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).