N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide

C11H16ClNO2S — CID 60721620

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
SMILESCCOCC(=O)N(CC)Cc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-3-13(11(14)8-15-4-2)7-9-5-6-10(12)16-9/h5-6H,3-4,7-8H2,1-2H3
InChIKeyDFGFJHUVJNLTRI-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.79
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide (PubChem CID 60721620) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
PubChem CID60721620
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
SMILESCCOCC(=O)N(CC)Cc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-3-13(11(14)8-15-4-2)7-9-5-6-10(12)16-9/h5-6H,3-4,7-8H2,1-2H3
InChIKeyDFGFJHUVJNLTRI-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide
CID 78792180
2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 55397253
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 60683294
[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 4-cyanobenzoate
CID 9201883
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride
CID 120559212
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide
CID 82852185
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide
CID 62838497
1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea
CID 60562675
[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 9010975
2-[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethoxy]acetic acid
CID 61328257
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide
CID 42891269

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide (CID 60721620) is N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide is CCOCC(=O)N(CC)Cc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide?
The InChIKey is DFGFJHUVJNLTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-3-13(11(14)8-15-4-2)7-9-5-6-10(12)16-9/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide has a molecular weight of 261.77 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide is sourced from PubChem (CID 60721620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).