2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C25H26ClN3O4S — CID 3910541

IUPAC2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H26ClN3O4S/c26-21-6-12-24(13-7-21)34(31,32)29(18-20-4-2-1-3-5-20)19-25(30)27-22-8-10-23(11-9-22)28-14-16-33-17-15-28/h1-13H,14-19H2,(H,27,30)
InChIKeyFVIWFMUBSCMNGA-UHFFFAOYSA-N
MW500.02 g/mol
LogP4.01
Rot. Bonds8

About 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 3910541) has the molecular formula C25H26ClN3O4S and a molecular weight of 500.02 g/mol. Its IUPAC name is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID3910541
Molecular FormulaC25H26ClN3O4S
Molecular Weight500.02 g/mol
Exact Mass499.13
IUPAC Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H26ClN3O4S/c26-21-6-12-24(13-7-21)34(31,32)29(18-20-4-2-1-3-5-20)19-25(30)27-22-8-10-23(11-9-22)28-14-16-33-17-15-28/h1-13H,14-19H2,(H,27,30)
InChIKeyFVIWFMUBSCMNGA-UHFFFAOYSA-N
XLogP4.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.02
LogP ≤ 54.01
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-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4969009
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519821
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510855
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 126010858
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide
CID 2521158
2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519104
methyl 4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzoate
CID 1021052
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126012291
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100797716

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 3910541) is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is FVIWFMUBSCMNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4S/c26-21-6-12-24(13-7-21)34(31,32)29(18-20-4-2-1-3-5-20)19-25(30)27-22-8-10-23(11-9-22)28-14-16-33-17-15-28/h1-13H,14-19H2,(H,27,30).
What are the key properties of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 500.02 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 3910541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).