N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide

C17H20N2O2S — CID 113058294

IUPACN-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide
SMILESCCc1ccccc1N(CCNC(=O)c1cccs1)C(C)=O
InChIInChI=1S/C17H20N2O2S/c1-3-14-7-4-5-8-15(14)19(13(2)20)11-10-18-17(21)16-9-6-12-22-16/h4-9,12H,3,10-11H2,1-2H3,(H,18,21)
InChIKeySKEVFPVRCHXNIW-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.09
Rot. Bonds6

About N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide

N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide (PubChem CID 113058294) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide
PubChem CID113058294
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide
SMILESCCc1ccccc1N(CCNC(=O)c1cccs1)C(C)=O
InChIInChI=1S/C17H20N2O2S/c1-3-14-7-4-5-8-15(14)19(13(2)20)11-10-18-17(21)16-9-6-12-22-16/h4-9,12H,3,10-11H2,1-2H3,(H,18,21)
InChIKeySKEVFPVRCHXNIW-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetylanilino)ethyl]thiophene-2-carboxamide
CID 113057163
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide
CID 113057769
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide
CID 113063780
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059891
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-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059977
N-[2-(N-acetyl-3,4,5-trimethoxyanilino)ethyl]thiophene-2-carboxamide
CID 113063397
N-[2-(N-acetyl-2-ethylanilino)ethyl]pentanamide
CID 113058287
N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide
CID 110471616
N-[2-[acetyl(cyclopentyl)amino]ethyl]thiophene-2-carboxamide
CID 113052781

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide (CID 113058294) is N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide is CCc1ccccc1N(CCNC(=O)c1cccs1)C(C)=O.
What is the InChIKey of N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide?
The InChIKey is SKEVFPVRCHXNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-3-14-7-4-5-8-15(14)19(13(2)20)11-10-18-17(21)16-9-6-12-22-16/h4-9,12H,3,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide?
N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.09, 6 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-ethylanilino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 113058294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).