2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide

C30H29N3O4S — CID 100519104

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H29N3O4S/c34-30(31-25-15-17-26(18-16-25)32-19-21-37-22-20-32)28-13-7-8-14-29(28)33(23-24-9-3-1-4-10-24)38(35,36)27-11-5-2-6-12-27/h1-18H,19-23H2,(H,31,34)
InChIKeyQUCQEYVLVARAJQ-UHFFFAOYSA-N
MW527.65 g/mol
LogP5.17
Rot. Bonds8

About 2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide

2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 100519104) has the molecular formula C30H29N3O4S and a molecular weight of 527.65 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID100519104
Molecular FormulaC30H29N3O4S
Molecular Weight527.65 g/mol
Exact Mass527.19
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H29N3O4S/c34-30(31-25-15-17-26(18-16-25)32-19-21-37-22-20-32)28-13-7-8-14-29(28)33(23-24-9-3-1-4-10-24)38(35,36)27-11-5-2-6-12-27/h1-18H,19-23H2,(H,31,34)
InChIKeyQUCQEYVLVARAJQ-UHFFFAOYSA-N
XLogP5.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.65
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28637305
2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide
CID 21372596
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502160
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 3910541
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 21372381
2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
CID 1106248
2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
CID 1203953
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1284888
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
ethyl 2-[[2-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzoate
CID 1365080
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 100517491

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide (CID 100519104) is 2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is QUCQEYVLVARAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4S/c34-30(31-25-15-17-26(18-16-25)32-19-21-37-22-20-32)28-13-7-8-14-29(28)33(23-24-9-3-1-4-10-24)38(35,36)27-11-5-2-6-12-27/h1-18H,19-23H2,(H,31,34).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide?
2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 527.65 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 100519104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).