2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C23H26N4O5S — CID 55754980

IUPAC2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C23H26N4O5S/c1-26(23(29)17-33(30,31)16-19-4-2-18(14-24)3-5-19)15-22(28)25-20-6-8-21(9-7-20)27-10-12-32-13-11-27/h2-9H,10-13,15-17H2,1H3,(H,25,28)
InChIKeyWPKISZWDFAQKPV-UHFFFAOYSA-N
MW470.55 g/mol
LogP1.41
Rot. Bonds8

About 2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 55754980) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID55754980
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C23H26N4O5S/c1-26(23(29)17-33(30,31)16-19-4-2-18(14-24)3-5-19)15-22(28)25-20-6-8-21(9-7-20)27-10-12-32-13-11-27/h2-9H,10-13,15-17H2,1H3,(H,25,28)
InChIKeyWPKISZWDFAQKPV-UHFFFAOYSA-N
XLogP1.41
TPSA119.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-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

N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110651342
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 55720026
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
2-[(3-cyanophenyl)sulfonyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7937740
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 55487167
2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 46489210
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 71944686
2-[[(1S)-1-cyanoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592711
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820757
3-(1,3-benzodioxol-5-yl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55455008

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 55754980) is 2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is WPKISZWDFAQKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-26(23(29)17-33(30,31)16-19-4-2-18(14-24)3-5-19)15-22(28)25-20-6-8-21(9-7-20)27-10-12-32-13-11-27/h2-9H,10-13,15-17H2,1H3,(H,25,28).
What are the key properties of 2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 470.55 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 55754980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).