N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide

C17H19ClN2O2S — CID 4785362

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)Cc1ccsc1
InChIInChI=1S/C17H19ClN2O2S/c1-3-20(17(22)8-13-6-7-23-11-13)10-16(21)19-15-9-14(18)5-4-12(15)2/h4-7,9,11H,3,8,10H2,1-2H3,(H,19,21)
InChIKeyDDYCQEKMJLUAPB-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.74
Rot. Bonds6

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide (PubChem CID 4785362) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide
PubChem CID4785362
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)Cc1ccsc1
InChIInChI=1S/C17H19ClN2O2S/c1-3-20(17(22)8-13-6-7-23-11-13)10-16(21)19-15-9-14(18)5-4-12(15)2/h4-7,9,11H,3,8,10H2,1-2H3,(H,19,21)
InChIKeyDDYCQEKMJLUAPB-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide (CID 4785362) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)Cc1ccsc1.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide?
The InChIKey is DDYCQEKMJLUAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-3-20(17(22)8-13-6-7-23-11-13)10-16(21)19-15-9-14(18)5-4-12(15)2/h4-7,9,11H,3,8,10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide has a molecular weight of 350.87 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 4785362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).