N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide

C21H26N2O3S — CID 6471004

IUPACN-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide
SMILESCCc1c(C)sc(NC(=O)Cc2ccccc2C)c1C(=O)N1CCOCC1
InChIInChI=1S/C21H26N2O3S/c1-4-17-15(3)27-20(19(17)21(25)23-9-11-26-12-10-23)22-18(24)13-16-8-6-5-7-14(16)2/h5-8H,4,9-13H2,1-3H3,(H,22,24)
InChIKeyGVAMJQAZARROCX-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.58
Rot. Bonds5

About N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide

N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide (PubChem CID 6471004) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide
PubChem CID6471004
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide
SMILESCCc1c(C)sc(NC(=O)Cc2ccccc2C)c1C(=O)N1CCOCC1
InChIInChI=1S/C21H26N2O3S/c1-4-17-15(3)27-20(19(17)21(25)23-9-11-26-12-10-23)22-18(24)13-16-8-6-5-7-14(16)2/h5-8H,4,9-13H2,1-3H3,(H,22,24)
InChIKeyGVAMJQAZARROCX-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide (CID 6471004) is N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide is CCc1c(C)sc(NC(=O)Cc2ccccc2C)c1C(=O)N1CCOCC1.
What is the InChIKey of N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide?
The InChIKey is GVAMJQAZARROCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-17-15(3)27-20(19(17)21(25)23-9-11-26-12-10-23)22-18(24)13-16-8-6-5-7-14(16)2/h5-8H,4,9-13H2,1-3H3,(H,22,24).
What are the key properties of N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide?
N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 6471004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).