5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide

C16H16N2OS — CID 61075127

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NCCc2ccccc2)s1
InChIInChI=1S/C16H16N2OS/c17-11-4-7-14-8-9-15(20-14)16(19)18-12-10-13-5-2-1-3-6-13/h1-3,5-6,8-9H,10-12,17H2,(H,18,19)
InChIKeyCCUDMVASSMLYJE-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.03
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide (PubChem CID 61075127) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide
PubChem CID61075127
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NCCc2ccccc2)s1
InChIInChI=1S/C16H16N2OS/c17-11-4-7-14-8-9-15(20-14)16(19)18-12-10-13-5-2-1-3-6-13/h1-3,5-6,8-9H,10-12,17H2,(H,18,19)
InChIKeyCCUDMVASSMLYJE-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 61075669
5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
CID 61074576
5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 63010792
5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 104592147
5-(3-aminoprop-1-ynyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
CID 64523961
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63961405
5-(3-aminoprop-1-ynyl)-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
CID 106326823
5-(4-hydroxybut-1-ynyl)-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 61475907
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentyloxyethyl)thiophene-2-carboxamide
CID 63834263
5-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102907704
5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide
CID 61076019
5-(3-aminoprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 61075844

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide (CID 61075127) is 5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide is NCC#Cc1ccc(C(=O)NCCc2ccccc2)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is CCUDMVASSMLYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c17-11-4-7-14-8-9-15(20-14)16(19)18-12-10-13-5-2-1-3-6-13/h1-3,5-6,8-9H,10-12,17H2,(H,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61075127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).