N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide

C15H14Cl2N2O2S — CID 113063780

IUPACN-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1cccs1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O2S/c1-10(20)19(14-11(16)4-2-5-12(14)17)8-7-18-15(21)13-6-3-9-22-13/h2-6,9H,7-8H2,1H3,(H,18,21)
InChIKeyGABOVPKSIVRMCU-UHFFFAOYSA-N
MW357.26 g/mol
LogP3.84
Rot. Bonds5

About N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide

N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide (PubChem CID 113063780) has the molecular formula C15H14Cl2N2O2S and a molecular weight of 357.26 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide
PubChem CID113063780
Molecular FormulaC15H14Cl2N2O2S
Molecular Weight357.26 g/mol
Exact Mass356.02
IUPAC NameN-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1cccs1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O2S/c1-10(20)19(14-11(16)4-2-5-12(14)17)8-7-18-15(21)13-6-3-9-22-13/h2-6,9H,7-8H2,1H3,(H,18,21)
InChIKeyGABOVPKSIVRMCU-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059977
N-[2-(N-acetylanilino)ethyl]thiophene-2-carboxamide
CID 113057163
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059891
N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide
CID 113058294
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide
CID 113057769
N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide
CID 113060835
N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide
CID 113053992
N-[2-(N-acetyl-3,4,5-trimethoxyanilino)ethyl]thiophene-2-carboxamide
CID 113063397
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113069987
N-[2-[acetyl(cyclopentyl)amino]ethyl]thiophene-2-carboxamide
CID 113052781
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113063810
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]thiophene-2-carboxamide
CID 113062423

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide (CID 113063780) is N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide is CC(=O)N(CCNC(=O)c1cccs1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide?
The InChIKey is GABOVPKSIVRMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2S/c1-10(20)19(14-11(16)4-2-5-12(14)17)8-7-18-15(21)13-6-3-9-22-13/h2-6,9H,7-8H2,1H3,(H,18,21).
What are the key properties of N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide?
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide has a molecular weight of 357.26 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 113063780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).