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

C19H22N2O3S — CID 1358927

IUPACN-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide
SMILESCc1sc(NC(=O)CN2CCOCC2)c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C19H22N2O3S/c1-13-14(2)25-19(17(13)18(23)15-6-4-3-5-7-15)20-16(22)12-21-8-10-24-11-9-21/h3-7H,8-12H2,1-2H3,(H,20,22)
InChIKeyCZVNOJREYDRWSC-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.87
Rot. Bonds5

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

N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 1358927) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide
PubChem CID1358927
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide
SMILESCc1sc(NC(=O)CN2CCOCC2)c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C19H22N2O3S/c1-13-14(2)25-19(17(13)18(23)15-6-4-3-5-7-15)20-16(22)12-21-8-10-24-11-9-21/h3-7H,8-12H2,1-2H3,(H,20,22)
InChIKeyCZVNOJREYDRWSC-UHFFFAOYSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide (CID 1358927) is N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide is Cc1sc(NC(=O)CN2CCOCC2)c(C(=O)c2ccccc2)c1C.
What is the InChIKey of N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is CZVNOJREYDRWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-14(2)25-19(17(13)18(23)15-6-4-3-5-7-15)20-16(22)12-21-8-10-24-11-9-21/h3-7H,8-12H2,1-2H3,(H,20,22).
What are the key properties of N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide?
N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 358.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 1358927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).