N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide

C17H27N3O3S2 — CID 119935574

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CC2CSCCN2)cc1
InChIInChI=1S/C17H27N3O3S2/c1-3-20(4-2)25(22,23)16-7-5-14(6-8-16)12-19-17(21)11-15-13-24-10-9-18-15/h5-8,15,18H,3-4,9-13H2,1-2H3,(H,19,21)
InChIKeyLGSSXKSUWMMVDX-UHFFFAOYSA-N
MW385.56 g/mol
LogP1.43
Rot. Bonds8

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119935574) has the molecular formula C17H27N3O3S2 and a molecular weight of 385.56 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119935574
Molecular FormulaC17H27N3O3S2
Molecular Weight385.56 g/mol
Exact Mass385.15
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CC2CSCCN2)cc1
InChIInChI=1S/C17H27N3O3S2/c1-3-20(4-2)25(22,23)16-7-5-14(6-8-16)12-19-17(21)11-15-13-24-10-9-18-15/h5-8,15,18H,3-4,9-13H2,1-2H3,(H,19,21)
InChIKeyLGSSXKSUWMMVDX-UHFFFAOYSA-N
XLogP1.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941680
2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66422898
N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 103821107
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940823
N-[[3-(methoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936585
2-thiomorpholin-3-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;dihydrochloride
CID 119941652
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
N-[(4-pyrazol-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936845
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936443
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558337
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119942596

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide (CID 119935574) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CC2CSCCN2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is LGSSXKSUWMMVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S2/c1-3-20(4-2)25(22,23)16-7-5-14(6-8-16)12-19-17(21)11-15-13-24-10-9-18-15/h5-8,15,18H,3-4,9-13H2,1-2H3,(H,19,21).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 385.56 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119935574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).