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

C18H20N2O3S — CID 858362

IUPACN-(3-benzoyl-5-methylthiophen-2-yl)-2-morpholin-4-ylacetamide
SMILESCc1cc(C(=O)c2ccccc2)c(NC(=O)CN2CCOCC2)s1
InChIInChI=1S/C18H20N2O3S/c1-13-11-15(17(22)14-5-3-2-4-6-14)18(24-13)19-16(21)12-20-7-9-23-10-8-20/h2-6,11H,7-10,12H2,1H3,(H,19,21)
InChIKeyTULNLJNPTLDNHX-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.56
Rot. Bonds5

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

N-(3-benzoyl-5-methylthiophen-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 858362) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(3-benzoyl-5-methylthiophen-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-benzoyl-5-methylthiophen-2-yl)-2-morpholin-4-ylacetamide
PubChem CID858362
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(3-benzoyl-5-methylthiophen-2-yl)-2-morpholin-4-ylacetamide
SMILESCc1cc(C(=O)c2ccccc2)c(NC(=O)CN2CCOCC2)s1
InChIInChI=1S/C18H20N2O3S/c1-13-11-15(17(22)14-5-3-2-4-6-14)18(24-13)19-16(21)12-20-7-9-23-10-8-20/h2-6,11H,7-10,12H2,1H3,(H,19,21)
InChIKeyTULNLJNPTLDNHX-UHFFFAOYSA-N
XLogP2.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10109058
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CID 21914398
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CID 44560524
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CID 44560617
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CID 44560668
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Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-5-methylthiophen-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(3-benzoyl-5-methylthiophen-2-yl)-2-morpholin-4-ylacetamide (CID 858362) is N-(3-benzoyl-5-methylthiophen-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(3-benzoyl-5-methylthiophen-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(3-benzoyl-5-methylthiophen-2-yl)-2-morpholin-4-ylacetamide is Cc1cc(C(=O)c2ccccc2)c(NC(=O)CN2CCOCC2)s1.
What is the InChIKey of N-(3-benzoyl-5-methylthiophen-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is TULNLJNPTLDNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-11-15(17(22)14-5-3-2-4-6-14)18(24-13)19-16(21)12-20-7-9-23-10-8-20/h2-6,11H,7-10,12H2,1H3,(H,19,21).
What are the key properties of N-(3-benzoyl-5-methylthiophen-2-yl)-2-morpholin-4-ylacetamide?
N-(3-benzoyl-5-methylthiophen-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 344.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-5-methylthiophen-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 858362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).