N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide

C16H23N3O4S2 — CID 119934956

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23N3O4S2/c20-16(11-14-12-24-9-4-17-14)18-13-2-1-3-15(10-13)25(21,22)19-5-7-23-8-6-19/h1-3,10,14,17H,4-9,11-12H2,(H,18,20)
InChIKeySSQXUQRMKFZACV-UHFFFAOYSA-N
MW385.51 g/mol
LogP0.74
Rot. Bonds5

About N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide

N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119934956) has the molecular formula C16H23N3O4S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
PubChem CID119934956
Molecular FormulaC16H23N3O4S2
Molecular Weight385.51 g/mol
Exact Mass385.11
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23N3O4S2/c20-16(11-14-12-24-9-4-17-14)18-13-2-1-3-15(10-13)25(21,22)19-5-7-23-8-6-19/h1-3,10,14,17H,4-9,11-12H2,(H,18,20)
InChIKeySSQXUQRMKFZACV-UHFFFAOYSA-N
XLogP0.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934970
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940299
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide
CID 119938258
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119938215
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 86955219
N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939122
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 3569637
7-amino-N-(3-morpholin-4-ylsulfonylphenyl)heptanamide
CID 119671799
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide (CID 119934956) is N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is SSQXUQRMKFZACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S2/c20-16(11-14-12-24-9-4-17-14)18-13-2-1-3-15(10-13)25(21,22)19-5-7-23-8-6-19/h1-3,10,14,17H,4-9,11-12H2,(H,18,20).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide?
N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 385.51 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119934956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).