N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide

C14H21N3O3S2 — CID 119936303

IUPACN-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1ccc(NC(=O)CC2CSCCN2)cc1NS(C)(=O)=O
InChIInChI=1S/C14H21N3O3S2/c1-10-3-4-11(7-13(10)17-22(2,19)20)16-14(18)8-12-9-21-6-5-15-12/h3-4,7,12,15,17H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyVRWKIUOJLOISOG-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.40
Rot. Bonds5

About N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide

N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119936303) has the molecular formula C14H21N3O3S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119936303
Molecular FormulaC14H21N3O3S2
Molecular Weight343.47 g/mol
Exact Mass343.10
IUPAC NameN-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1ccc(NC(=O)CC2CSCCN2)cc1NS(C)(=O)=O
InChIInChI=1S/C14H21N3O3S2/c1-10-3-4-11(7-13(10)17-22(2,19)20)16-14(18)8-12-9-21-6-5-15-12/h3-4,7,12,15,17H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyVRWKIUOJLOISOG-UHFFFAOYSA-N
XLogP1.40
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[2-methyl-5-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119938998
N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935518
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936668
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939738
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide (CID 119936303) is N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide is Cc1ccc(NC(=O)CC2CSCCN2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is VRWKIUOJLOISOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S2/c1-10-3-4-11(7-13(10)17-22(2,19)20)16-14(18)8-12-9-21-6-5-15-12/h3-4,7,12,15,17H,5-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide?
N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 343.47 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119936303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).