N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide

C19H21N3O4S2 — CID 118756637

IUPACN-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)Cc2ccsc2)c(C)o1
InChIInChI=1S/C19H21N3O4S2/c1-3-28(24,25)22-16-7-5-4-6-15(16)19-21-17(13(2)26-19)11-20-18(23)10-14-8-9-27-12-14/h4-9,12,22H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyHPSMKZGOEMSTNE-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.33
Rot. Bonds8

About N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide

N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 118756637) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID118756637
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC NameN-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)Cc2ccsc2)c(C)o1
InChIInChI=1S/C19H21N3O4S2/c1-3-28(24,25)22-16-7-5-4-6-15(16)19-21-17(13(2)26-19)11-20-18(23)10-14-8-9-27-12-14/h4-9,12,22H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyHPSMKZGOEMSTNE-UHFFFAOYSA-N
XLogP3.33
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 42170727
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42212950
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170798
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
CID 42407871
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 42431882
N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 26341266
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 42276755
N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]thiophene-2-carboxamide
CID 26353453
methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate
CID 42455839
(3R)-3-methyl-N-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]pentanamide
CID 42407808
(3R)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 42483984
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42165488

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide (CID 118756637) is N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide is CCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)Cc2ccsc2)c(C)o1.
What is the InChIKey of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is HPSMKZGOEMSTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-3-28(24,25)22-16-7-5-4-6-15(16)19-21-17(13(2)26-19)11-20-18(23)10-14-8-9-27-12-14/h4-9,12,22H,3,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 419.53 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 118756637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).