ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide

C22H33NO3S — CID 144504663

IUPACethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide
SMILESCC.CC.CSNC(=O)CCc1cc(C)c(Oc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C18H21NO3S.2C2H6/c1-12-10-14(4-9-17(21)19-23-3)11-13(2)18(12)22-16-7-5-15(20)6-8-16;2*1-2/h5-8,10-11,20H,4,9H2,1-3H3,(H,19,21);2*1-2H3
InChIKeyXQSAXWHHJMBZEZ-UHFFFAOYSA-N
MW391.58 g/mol
LogP6.18
Rot. Bonds6

About ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide

ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide (PubChem CID 144504663) has the molecular formula C22H33NO3S and a molecular weight of 391.58 g/mol. Its IUPAC name is ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide.

Molecular Properties

Compound Nameethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide
PubChem CID144504663
Molecular FormulaC22H33NO3S
Molecular Weight391.58 g/mol
Exact Mass391.22
IUPAC Nameethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide
SMILESCC.CC.CSNC(=O)CCc1cc(C)c(Oc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C18H21NO3S.2C2H6/c1-12-10-14(4-9-17(21)19-23-3)11-13(2)18(12)22-16-7-5-15(20)6-8-16;2*1-2/h5-8,10-11,20H,4,9H2,1-3H3,(H,19,21);2*1-2H3
InChIKeyXQSAXWHHJMBZEZ-UHFFFAOYSA-N
XLogP6.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.58
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide 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

3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide
CID 123525070
N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide
CID 123574671
3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide
CID 123425395
ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide
CID 144504805
ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfinylpropanamide;3-[3-(4-hydroxyphenoxy)-2,4-dimethylphenyl]propanoic acid
CID 144504839
3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide
CID 123164997
ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide
CID 144504755
5-[2,6-dimethyl-4-[3-oxo-3-(sulfanylamino)propyl]phenoxy]-2-hydroxybenzamide
CID 144504712
ethane;4-[4-(3-hydroxypropyl)-2,6-dimethylphenoxy]phenol;S-phenylthiohydroxylamine
CID 144504897
3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide
CID 58875625
ethane;2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]-N-phenylsulfanylacetamide
CID 144504775
2-[3,5-dimethyl-4-(4-methylphenoxy)phenyl]-N-hydroxyacetamide;2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetic acid;methyl 2-[3,5-dimethyl-4-(4-methylphenoxy)phenyl]acetate;methyl 2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetate
CID 159371031

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide?
The IUPAC name of ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide (CID 144504663) is ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide.
What is the SMILES notation for ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide?
The canonical SMILES for ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide is CC.CC.CSNC(=O)CCc1cc(C)c(Oc2ccc(O)cc2)c(C)c1.
What is the InChIKey of ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide?
The InChIKey is XQSAXWHHJMBZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S.2C2H6/c1-12-10-14(4-9-17(21)19-23-3)11-13(2)18(12)22-16-7-5-15(20)6-8-16;2*1-2/h5-8,10-11,20H,4,9H2,1-3H3,(H,19,21);2*1-2H3.
What are the key properties of ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide?
ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide has a molecular weight of 391.58 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide is sourced from PubChem (CID 144504663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).