2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide

C26H29N3O5S — CID 100519657

IUPAC2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H29N3O5S/c1-35(31,32)29(24-11-13-25(14-12-24)34-20-21-5-3-2-4-6-21)19-26(30)27-22-7-9-23(10-8-22)28-15-17-33-18-16-28/h2-14H,15-20H2,1H3,(H,27,30)
InChIKeyAUXNAHMMEYHMLE-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.51
Rot. Bonds9

About 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide

2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 100519657) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID100519657
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H29N3O5S/c1-35(31,32)29(24-11-13-25(14-12-24)34-20-21-5-3-2-4-6-21)19-26(30)27-22-7-9-23(10-8-22)28-15-17-33-18-16-28/h2-14H,15-20H2,1H3,(H,27,30)
InChIKeyAUXNAHMMEYHMLE-UHFFFAOYSA-N
XLogP3.51
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502718
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100501567
ethyl 4-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 2222345
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51342544
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 100520127
N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30266049
(4-methylphenyl)-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]sulfamic acid
CID 174743808
2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100523212
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502302
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100521667
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2224754

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide (CID 100519657) is 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is AUXNAHMMEYHMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-35(31,32)29(24-11-13-25(14-12-24)34-20-21-5-3-2-4-6-21)19-26(30)27-22-7-9-23(10-8-22)28-15-17-33-18-16-28/h2-14H,15-20H2,1H3,(H,27,30).
What are the key properties of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 495.60 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 100519657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).