N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide

C25H27N3O5S — CID 1163593

IUPACN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-32-23-10-6-22(7-11-23)27-34(30,31)24-12-8-21(9-13-24)26-25(29)20-4-2-19(3-5-20)18-28-14-16-33-17-15-28/h2-13,27H,14-18H2,1H3,(H,26,29)
InChIKeyJPDLMQZELBEJAJ-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.58
Rot. Bonds8

About N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 1163593) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID1163593
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-32-23-10-6-22(7-11-23)27-34(30,31)24-12-8-21(9-13-24)26-25(29)20-4-2-19(3-5-20)18-28-14-16-33-17-15-28/h2-13,27H,14-18H2,1H3,(H,26,29)
InChIKeyJPDLMQZELBEJAJ-UHFFFAOYSA-N
XLogP3.58
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

PG-116800
CID 9848869
Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
CID 141759425
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-(3-(4-fluorophenylsulfonamido)-4-methoxyphenyl)-[1,1'-biphenyl]-4-carboxamide
CID 5020799
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
N-Furan-2-ylmethyl-4-[4-(4-methoxy-phenyl)-piperazine-1-sulfonyl]-benzamide
CID 652023
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(4-methylsulfonylphenyl)benzamide
CID 10052433
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2340937
5-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2431964
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
[3-(2,3-Dihydroindol-1-ylsulfonyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2492468

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide (CID 1163593) is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is JPDLMQZELBEJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-32-23-10-6-22(7-11-23)27-34(30,31)24-12-8-21(9-13-24)26-25(29)20-4-2-19(3-5-20)18-28-14-16-33-17-15-28/h2-13,27H,14-18H2,1H3,(H,26,29).
What are the key properties of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide?
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 481.57 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 1163593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).