N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide

C14H19BrN2O2S — CID 66422239

IUPACN-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)CC1CSCCN1
InChIInChI=1S/C14H19BrN2O2S/c1-9-5-10(15)6-12(19-2)14(9)17-13(18)7-11-8-20-4-3-16-11/h5-6,11,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyJBGDDWJANCRFJY-UHFFFAOYSA-N
MW359.29 g/mol
LogP2.80
Rot. Bonds4

About N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide

N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66422239) has the molecular formula C14H19BrN2O2S and a molecular weight of 359.29 g/mol. Its IUPAC name is N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66422239
Molecular FormulaC14H19BrN2O2S
Molecular Weight359.29 g/mol
Exact Mass358.04
IUPAC NameN-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)CC1CSCCN1
InChIInChI=1S/C14H19BrN2O2S/c1-9-5-10(15)6-12(19-2)14(9)17-13(18)7-11-8-20-4-3-16-11/h5-6,11,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyJBGDDWJANCRFJY-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide
CID 119938248
N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 146134018
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
N-(2-acetamido-5-bromophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938069
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936558
N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119939619
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935675
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide (CID 66422239) is N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide is COc1cc(Br)cc(C)c1NC(=O)CC1CSCCN1.
What is the InChIKey of N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is JBGDDWJANCRFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2S/c1-9-5-10(15)6-12(19-2)14(9)17-13(18)7-11-8-20-4-3-16-11/h5-6,11,16H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide?
N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 359.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).