N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide

C15H18N2O2S — CID 79986014

IUPACN-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N(CCO)c1ccccc1N
InChIInChI=1S/C15H18N2O2S/c1-2-11-7-10-20-14(11)15(19)17(8-9-18)13-6-4-3-5-12(13)16/h3-7,10,18H,2,8-9,16H2,1H3
InChIKeyCLUAIEOEXQKLSJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.53
Rot. Bonds5

About N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide

N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide (PubChem CID 79986014) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
PubChem CID79986014
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N(CCO)c1ccccc1N
InChIInChI=1S/C15H18N2O2S/c1-2-11-7-10-20-14(11)15(19)17(8-9-18)13-6-4-3-5-12(13)16/h3-7,10,18H,2,8-9,16H2,1H3
InChIKeyCLUAIEOEXQKLSJ-UHFFFAOYSA-N
XLogP2.53
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide
CID 79985121
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
N-(2-aminophenyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
CID 43547876
N-(2-aminophenyl)-2,6-dichloro-N-(2-hydroxyethyl)benzamide
CID 43547863
N-(2-aminophenyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 62101477
N-(2-aminophenyl)-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 43547919
N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122074
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide
CID 43547827
N-(2-aminophenyl)-2-(2-chlorophenyl)-N-(2-hydroxyethyl)acetamide
CID 43547854
N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide
CID 114457031
N-cyclobutyl-3-ethyl-N-(3-hydroxypropyl)thiophene-2-carboxamide
CID 102867056

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide (CID 79986014) is N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide is CCc1ccsc1C(=O)N(CCO)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The InChIKey is CLUAIEOEXQKLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-11-7-10-20-14(11)15(19)17(8-9-18)13-6-4-3-5-12(13)16/h3-7,10,18H,2,8-9,16H2,1H3.
What are the key properties of N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide?
N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 79986014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).