2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C25H25Cl2N3O4S — CID 4969009

IUPAC2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H25Cl2N3O4S/c26-20-6-11-23(27)24(16-20)35(32,33)30(17-19-4-2-1-3-5-19)18-25(31)28-21-7-9-22(10-8-21)29-12-14-34-15-13-29/h1-11,16H,12-15,17-18H2,(H,28,31)
InChIKeyXLDQDAUFUDXDSN-UHFFFAOYSA-N
MW534.47 g/mol
LogP4.66
Rot. Bonds8

About 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 4969009) has the molecular formula C25H25Cl2N3O4S and a molecular weight of 534.47 g/mol. Its IUPAC name is 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID4969009
Molecular FormulaC25H25Cl2N3O4S
Molecular Weight534.47 g/mol
Exact Mass533.09
IUPAC Name2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H25Cl2N3O4S/c26-20-6-11-23(27)24(16-20)35(32,33)30(17-19-4-2-1-3-5-19)18-25(31)28-21-7-9-22(10-8-21)29-12-14-34-15-13-29/h1-11,16H,12-15,17-18H2,(H,28,31)
InChIKeyXLDQDAUFUDXDSN-UHFFFAOYSA-N
XLogP4.66
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.47
LogP ≤ 54.66
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-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 3910541
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 124538005
N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide
CID 126012482
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28544429
2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 4869538
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 988036
N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126016058
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 1334485
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2290702
N-(3,5-dichlorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126020917
N-benzyl-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide
CID 124538000
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592972

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 4969009) is 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is XLDQDAUFUDXDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O4S/c26-20-6-11-23(27)24(16-20)35(32,33)30(17-19-4-2-1-3-5-19)18-25(31)28-21-7-9-22(10-8-21)29-12-14-34-15-13-29/h1-11,16H,12-15,17-18H2,(H,28,31).
What are the key properties of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 534.47 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4969009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).