N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide

C17H20N2O2S — CID 113057769

IUPACN-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1cccs1)c1cc(C)ccc1C
InChIInChI=1S/C17H20N2O2S/c1-12-6-7-13(2)15(11-12)19(14(3)20)9-8-18-17(21)16-5-4-10-22-16/h4-7,10-11H,8-9H2,1-3H3,(H,18,21)
InChIKeyJRBWWAPTRMQDMK-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.15
Rot. Bonds5

About N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide

N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide (PubChem CID 113057769) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide
PubChem CID113057769
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1cccs1)c1cc(C)ccc1C
InChIInChI=1S/C17H20N2O2S/c1-12-6-7-13(2)15(11-12)19(14(3)20)9-8-18-17(21)16-5-4-10-22-16/h4-7,10-11H,8-9H2,1-3H3,(H,18,21)
InChIKeyJRBWWAPTRMQDMK-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059977
N-[2-(N-acetylanilino)ethyl]thiophene-2-carboxamide
CID 113057163
N-[2-(N-acetyl-3,4,5-trimethoxyanilino)ethyl]thiophene-2-carboxamide
CID 113063397
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide
CID 113063780
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-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113057810
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide
CID 113057667
N-[2-[acetyl(cyclopentyl)amino]ethyl]thiophene-2-carboxamide
CID 113052781
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide
CID 113057694

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide (CID 113057769) is N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide is CC(=O)N(CCNC(=O)c1cccs1)c1cc(C)ccc1C.
What is the InChIKey of N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide?
The InChIKey is JRBWWAPTRMQDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-6-7-13(2)15(11-12)19(14(3)20)9-8-18-17(21)16-5-4-10-22-16/h4-7,10-11H,8-9H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide?
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.15, 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-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 113057769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).