N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide

C15H18N2OS — CID 79985275

IUPACN-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC(C)c1cccc(N)c1
InChIInChI=1S/C15H18N2OS/c1-3-11-7-8-19-14(11)15(18)17-10(2)12-5-4-6-13(16)9-12/h4-10H,3,16H2,1-2H3,(H,17,18)
InChIKeyNBAMUKLVFUUXGK-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.38
Rot. Bonds4

About N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide

N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide (PubChem CID 79985275) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
PubChem CID79985275
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC(C)c1cccc(N)c1
InChIInChI=1S/C15H18N2OS/c1-3-11-7-8-19-14(11)15(18)17-10(2)12-5-4-6-13(16)9-12/h4-10H,3,16H2,1-2H3,(H,17,18)
InChIKeyNBAMUKLVFUUXGK-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-3-ethylthiophene-2-carboxamide
CID 104872864
N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
3-[(3-ethylthiophene-2-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219102
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide
CID 43297646
N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide
CID 113274753
N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide
CID 114818581
N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide
CID 65214697
N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide
CID 43297726
N-[1-(3-aminophenyl)ethyl]-2,5-dibromothiophene-3-carboxamide
CID 107959305
N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide
CID 79985766
N-[1-(3-aminophenyl)ethyl]-2-methylsulfanylbenzamide
CID 78984463

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide (CID 79985275) is N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)NC(C)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide?
The InChIKey is NBAMUKLVFUUXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-11-7-8-19-14(11)15(18)17-10(2)12-5-4-6-13(16)9-12/h4-10H,3,16H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide?
N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 79985275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).