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

C15H23N3O3S2 — CID 119936668

IUPACN-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)CC2CSCCN2)cc1
InChIInChI=1S/C15H23N3O3S2/c1-2-7-17-23(20,21)14-5-3-12(4-6-14)18-15(19)10-13-11-22-9-8-16-13/h3-6,13,16-17H,2,7-11H2,1H3,(H,18,19)
InChIKeyFFWIJMACWDELLH-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.41
Rot. Bonds7

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

N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119936668) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119936668
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)CC2CSCCN2)cc1
InChIInChI=1S/C15H23N3O3S2/c1-2-7-17-23(20,21)14-5-3-12(4-6-14)18-15(19)10-13-11-22-9-8-16-13/h3-6,13,16-17H,2,7-11H2,1H3,(H,18,19)
InChIKeyFFWIJMACWDELLH-UHFFFAOYSA-N
XLogP1.41
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939738
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936303
N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935518
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119939996
N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940299
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66421642
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66423032

Frequently Asked Questions

What is the IUPAC name of N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119936668) is N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide is CCCNS(=O)(=O)c1ccc(NC(=O)CC2CSCCN2)cc1.
What is the InChIKey of N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is FFWIJMACWDELLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-2-7-17-23(20,21)14-5-3-12(4-6-14)18-15(19)10-13-11-22-9-8-16-13/h3-6,13,16-17H,2,7-11H2,1H3,(H,18,19).
What are the key properties of N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 357.50 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119936668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).