2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

C21H25N3O3S — CID 26599953

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O3S/c1-16(25)22-18-6-8-20(9-7-18)28-15-21(26)23-19-4-2-17(3-5-19)14-24-10-12-27-13-11-24/h2-9H,10-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyQMOIURLLVNHHCO-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.21
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 26599953) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID26599953
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O3S/c1-16(25)22-18-6-8-20(9-7-18)28-15-21(26)23-19-4-2-17(3-5-19)14-24-10-12-27-13-11-24/h2-9H,10-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyQMOIURLLVNHHCO-UHFFFAOYSA-N
XLogP3.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]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-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 17445227
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
2-(2,4-difluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 8771186
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 9199575
2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 46606542
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 17445606
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78912261
2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2994341

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (CID 26599953) is 2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is QMOIURLLVNHHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-16(25)22-18-6-8-20(9-7-18)28-15-21(26)23-19-4-2-17(3-5-19)14-24-10-12-27-13-11-24/h2-9H,10-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 399.52 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 26599953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).