2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide

C22H27ClN2O2S — CID 60604722

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
SMILESCc1c(CN2CCSCC2)cccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O2S/c1-16-17(15-25-11-13-28-14-12-25)5-4-6-20(16)24-21(26)22(2,3)27-19-9-7-18(23)8-10-19/h4-10H,11-15H2,1-3H3,(H,24,26)
InChIKeyIHXUUBCBOILYGI-UHFFFAOYSA-N
MW418.99 g/mol
LogP4.99
Rot. Bonds6

About 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 60604722) has the molecular formula C22H27ClN2O2S and a molecular weight of 418.99 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
PubChem CID60604722
Molecular FormulaC22H27ClN2O2S
Molecular Weight418.99 g/mol
Exact Mass418.15
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
SMILESCc1c(CN2CCSCC2)cccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O2S/c1-16-17(15-25-11-13-28-14-12-25)5-4-6-20(16)24-21(26)22(2,3)27-19-9-7-18(23)8-10-19/h4-10H,11-15H2,1-3H3,(H,24,26)
InChIKeyIHXUUBCBOILYGI-UHFFFAOYSA-N
XLogP4.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.99
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119870046
2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119870115
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119870109
4-[[2-methyl-3-(thiomorpholin-4-ylmethyl)anilino]methyl]benzoic acid
CID 122029757
2-amino-3-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119870106
4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 119870105
(E)-3-(3-methoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 49008882
3,4-dimethyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49008896
4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide
CID 122146673
3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 49008652
4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120645765

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide (CID 60604722) is 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide is Cc1c(CN2CCSCC2)cccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
The InChIKey is IHXUUBCBOILYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2S/c1-16-17(15-25-11-13-28-14-12-25)5-4-6-20(16)24-21(26)22(2,3)27-19-9-7-18(23)8-10-19/h4-10H,11-15H2,1-3H3,(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 418.99 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 60604722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).