N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide

C15H14Cl2N2O2S — CID 55585286

IUPACN-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O2S/c1-8(10-4-3-5-11(6-10)19-9(2)20)18-15(21)12-7-13(16)22-14(12)17/h3-8H,1-2H3,(H,18,21)(H,19,20)
InChIKeyJOWAZGRDRSNWJR-UHFFFAOYSA-N
MW357.26 g/mol
LogP4.50
Rot. Bonds4

About N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide

N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide (PubChem CID 55585286) has the molecular formula C15H14Cl2N2O2S and a molecular weight of 357.26 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide
PubChem CID55585286
Molecular FormulaC15H14Cl2N2O2S
Molecular Weight357.26 g/mol
Exact Mass356.02
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O2S/c1-8(10-4-3-5-11(6-10)19-9(2)20)18-15(21)12-7-13(16)22-14(12)17/h3-8H,1-2H3,(H,18,21)(H,19,20)
InChIKeyJOWAZGRDRSNWJR-UHFFFAOYSA-N
XLogP4.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
CID 71867003
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872
N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide
CID 46598923
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 46598814
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 46598763
N-[1-(3-acetamidophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 46598816
N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 60735684
N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide
CID 71897814
N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46580476
N-[1-(3-acetamidophenyl)ethyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46581987

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide (CID 55585286) is N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide is CC(=O)Nc1cccc(C(C)NC(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is JOWAZGRDRSNWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2S/c1-8(10-4-3-5-11(6-10)19-9(2)20)18-15(21)12-7-13(16)22-14(12)17/h3-8H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 357.26 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 55585286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).