N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide

C13H17N3O2S — CID 2816626

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide
SMILESCc1sc(NC(=O)CN2CCOCC2)c(C#N)c1C
InChIInChI=1S/C13H17N3O2S/c1-9-10(2)19-13(11(9)7-14)15-12(17)8-16-3-5-18-6-4-16/h3-6,8H2,1-2H3,(H,15,17)
InChIKeyUBAZRZSGCSUGCZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.51
Rot. Bonds3

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 2816626) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide
PubChem CID2816626
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide
SMILESCc1sc(NC(=O)CN2CCOCC2)c(C#N)c1C
InChIInChI=1S/C13H17N3O2S/c1-9-10(2)19-13(11(9)7-14)15-12(17)8-16-3-5-18-6-4-16/h3-6,8H2,1-2H3,(H,15,17)
InChIKeyUBAZRZSGCSUGCZ-UHFFFAOYSA-N
XLogP1.51
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide (CID 2816626) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide is Cc1sc(NC(=O)CN2CCOCC2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is UBAZRZSGCSUGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-10(2)19-13(11(9)7-14)15-12(17)8-16-3-5-18-6-4-16/h3-6,8H2,1-2H3,(H,15,17).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 279.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2816626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).