2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide

C21H26N2O3S — CID 6466081

IUPAC2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide
SMILESCc1cccc(CC(=O)Nc2sc(C(C)C)cc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O3S/c1-14(2)18-13-17(21(25)23-7-9-26-10-8-23)20(27-18)22-19(24)12-16-6-4-5-15(3)11-16/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,22,24)
InChIKeyDXLKAQYRCUPKKL-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.83
Rot. Bonds5

About 2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide

2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide (PubChem CID 6466081) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide
PubChem CID6466081
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide
SMILESCc1cccc(CC(=O)Nc2sc(C(C)C)cc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O3S/c1-14(2)18-13-17(21(25)23-7-9-26-10-8-23)20(27-18)22-19(24)12-16-6-4-5-15(3)11-16/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,22,24)
InChIKeyDXLKAQYRCUPKKL-UHFFFAOYSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide (CID 6466081) is 2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide is Cc1cccc(CC(=O)Nc2sc(C(C)C)cc2C(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide?
The InChIKey is DXLKAQYRCUPKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-14(2)18-13-17(21(25)23-7-9-26-10-8-23)20(27-18)22-19(24)12-16-6-4-5-15(3)11-16/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,22,24).
What are the key properties of 2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide?
2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]acetamide is sourced from PubChem (CID 6466081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).