2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide

C21H25N3O3S — CID 3511248

IUPAC2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide
SMILESCc1ccc(OCC(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O3S/c1-16-2-8-19(9-3-16)27-15-20(25)23-21(28)22-18-6-4-17(5-7-18)14-24-10-12-26-13-11-24/h2-9H,10-15H2,1H3,(H2,22,23,25,28)
InChIKeyBPIMCPLXJYAZFD-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.72
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide

2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide (PubChem CID 3511248) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide
PubChem CID3511248
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide
SMILESCc1ccc(OCC(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O3S/c1-16-2-8-19(9-3-16)27-15-20(25)23-21(28)22-18-6-4-17(5-7-18)14-24-10-12-26-13-11-24/h2-9H,10-15H2,1H3,(H2,22,23,25,28)
InChIKeyBPIMCPLXJYAZFD-UHFFFAOYSA-N
XLogP2.72
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide
CID 3515885
2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 23740687
4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 979170
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide
CID 922748
2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 18230254
2-chloro-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 3511089
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
N-[[2-chloro-5-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide
CID 54860191
2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740895
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride
CID 46736007
2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 78803811

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide (CID 3511248) is 2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide is Cc1ccc(OCC(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide?
The InChIKey is BPIMCPLXJYAZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-16-2-8-19(9-3-16)27-15-20(25)23-21(28)22-18-6-4-17(5-7-18)14-24-10-12-26-13-11-24/h2-9H,10-15H2,1H3,(H2,22,23,25,28).
What are the key properties of 2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide?
2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide has a molecular weight of 399.52 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide is sourced from PubChem (CID 3511248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).