N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide

C17H21N3O5S2 — CID 50842648

IUPACN-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C17H21N3O5S2/c1-3-15(21)18-17-12(2)19-25-14(17)6-4-13-5-7-16(26-13)27(22,23)20-8-10-24-11-9-20/h4-7H,3,8-11H2,1-2H3,(H,18,21)/b6-4+
InChIKeyYTXHIKWYHWSUDI-GQCTYLIASA-N
MW411.51 g/mol
LogP2.58
Rot. Bonds6

About N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide

N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide (PubChem CID 50842648) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide
PubChem CID50842648
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC NameN-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C17H21N3O5S2/c1-3-15(21)18-17-12(2)19-25-14(17)6-4-13-5-7-16(26-13)27(22,23)20-8-10-24-11-9-20/h4-7H,3,8-11H2,1-2H3,(H,18,21)/b6-4+
InChIKeyYTXHIKWYHWSUDI-GQCTYLIASA-N
XLogP2.58
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(E)-2-[3-methyl-4-(propanoylamino)-1,2-oxazol-5-yl]ethenyl]thiophene-2-sulfonyl chloride
CID 53212031
N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50842885
N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50839020
N-[5-[(E)-2-[5-[(4-methoxyphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50842701
N-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50839226
5-[(E)-2-[4-(cyclopropanecarbonylamino)-3-methyl-1,2-oxazol-5-yl]ethenyl]thiophene-2-sulfonyl chloride
CID 53212030
N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 50842920
N-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide
CID 50842759
N-[3-methyl-5-[(E)-2-[5-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 50842624
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide
CID 50842611
N-[5-[(E)-2-[5-[(2-methoxyphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 50842246

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide (CID 50842648) is N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide is CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide?
The InChIKey is YTXHIKWYHWSUDI-GQCTYLIASA-N. The full InChI is InChI=1S/C17H21N3O5S2/c1-3-15(21)18-17-12(2)19-25-14(17)6-4-13-5-7-16(26-13)27(22,23)20-8-10-24-11-9-20/h4-7H,3,8-11H2,1-2H3,(H,18,21)/b6-4+.
What are the key properties of N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide?
N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide has a molecular weight of 411.51 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 50842648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).