N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide

C16H25N3O3S2 — CID 119940299

IUPACN-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCCC(C)NS(=O)(=O)c1cccc(NC(=O)CC2CSCCN2)c1
InChIInChI=1S/C16H25N3O3S2/c1-3-12(2)19-24(21,22)15-6-4-5-13(9-15)18-16(20)10-14-11-23-8-7-17-14/h4-6,9,12,14,17,19H,3,7-8,10-11H2,1-2H3,(H,18,20)
InChIKeyRBYCLWDEKHSXBJ-UHFFFAOYSA-N
MW371.53 g/mol
LogP1.80
Rot. Bonds7

About N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide

N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119940299) has the molecular formula C16H25N3O3S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119940299
Molecular FormulaC16H25N3O3S2
Molecular Weight371.53 g/mol
Exact Mass371.13
IUPAC NameN-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCCC(C)NS(=O)(=O)c1cccc(NC(=O)CC2CSCCN2)c1
InChIInChI=1S/C16H25N3O3S2/c1-3-12(2)19-24(21,22)15-6-4-5-13(9-15)18-16(20)10-14-11-23-8-7-17-14/h4-6,9,12,14,17,19H,3,7-8,10-11H2,1-2H3,(H,18,20)
InChIKeyRBYCLWDEKHSXBJ-UHFFFAOYSA-N
XLogP1.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938584
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934970
N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939122
N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934956
2-methyl-N-[3-[[(2-thiomorpholin-3-ylacetyl)amino]methyl]phenyl]butanamide
CID 119936534
N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66421428
N-[3-(propan-2-yloxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937948
2-methyl-N-[3-[[(2-thiomorpholin-3-ylacetyl)amino]methyl]phenyl]butanamide;hydrochloride
CID 119936533
N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936668
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119940299) is N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide is CCC(C)NS(=O)(=O)c1cccc(NC(=O)CC2CSCCN2)c1.
What is the InChIKey of N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is RBYCLWDEKHSXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S2/c1-3-12(2)19-24(21,22)15-6-4-5-13(9-15)18-16(20)10-14-11-23-8-7-17-14/h4-6,9,12,14,17,19H,3,7-8,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 371.53 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).