3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide

C26H29N3O5S — CID 24537959

IUPAC3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2OC)cc1
InChIInChI=1S/C26H29N3O5S/c1-3-19-4-7-22(8-5-19)28-35(31,32)25-18-20(6-13-24(25)33-2)26(30)27-21-9-11-23(12-10-21)29-14-16-34-17-15-29/h4-13,18,28H,3,14-17H2,1-2H3,(H,27,30)
InChIKeyQFJOCWDFLPHHAN-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.15
Rot. Bonds8

About 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide

3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 24537959) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID24537959
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2OC)cc1
InChIInChI=1S/C26H29N3O5S/c1-3-19-4-7-22(8-5-19)28-35(31,32)25-18-20(6-13-24(25)33-2)26(30)27-21-9-11-23(12-10-21)29-14-16-34-17-15-29/h4-13,18,28H,3,14-17H2,1-2H3,(H,27,30)
InChIKeyQFJOCWDFLPHHAN-UHFFFAOYSA-N
XLogP4.15
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 17489130
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methylphenyl)benzamide
CID 26537931
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 37244496
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100520064
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 17358556
4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 110424980
N-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide
CID 166402503
propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 4849600
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 24538441
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide
CID 24660944

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide (CID 24537959) is 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide is CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2OC)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is QFJOCWDFLPHHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-3-19-4-7-22(8-5-19)28-35(31,32)25-18-20(6-13-24(25)33-2)26(30)27-21-9-11-23(12-10-21)29-14-16-34-17-15-29/h4-13,18,28H,3,14-17H2,1-2H3,(H,27,30).
What are the key properties of 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide?
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 495.60 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 24537959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).