2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C18H23N3O2S — CID 4789291

IUPAC2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccccc1C
InChIInChI=1S/C18H23N3O2S/c1-3-21(12-17(22)19-11-15-8-6-10-24-15)13-18(23)20-16-9-5-4-7-14(16)2/h4-10H,3,11-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyPGPBEHABUMWVCO-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.63
Rot. Bonds8

About 2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4789291) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4789291
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccccc1C
InChIInChI=1S/C18H23N3O2S/c1-3-21(12-17(22)19-11-15-8-6-10-24-15)13-18(23)20-16-9-5-4-7-14(16)2/h4-10H,3,11-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyPGPBEHABUMWVCO-UHFFFAOYSA-N
XLogP2.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 4789291) is 2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccccc1C.
What is the InChIKey of 2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is PGPBEHABUMWVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-21(12-17(22)19-11-15-8-6-10-24-15)13-18(23)20-16-9-5-4-7-14(16)2/h4-10H,3,11-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4789291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).