N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide

C15H14N2OS — CID 60803937

IUPACN-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide
SMILESNCC#Cc1cccc(NC(=O)Cc2cccs2)c1
InChIInChI=1S/C15H14N2OS/c16-8-2-5-12-4-1-6-13(10-12)17-15(18)11-14-7-3-9-19-14/h1,3-4,6-7,9-10H,8,11,16H2,(H,17,18)
InChIKeyRGMANOSOLIUIAZ-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.24
Rot. Bonds3

About N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide

N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 60803937) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID60803937
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide
SMILESNCC#Cc1cccc(NC(=O)Cc2cccs2)c1
InChIInChI=1S/C15H14N2OS/c16-8-2-5-12-4-1-6-13(10-12)17-15(18)11-14-7-3-9-19-14/h1,3-4,6-7,9-10H,8,11,16H2,(H,17,18)
InChIKeyRGMANOSOLIUIAZ-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.24
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

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 60812906
3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60821661
N-[3-(2-aminoethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 28754992
N-(3-benzoylphenyl)-2-thiophen-2-ylacetamide
CID 762458
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide
CID 112603659
N-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570342
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-ethoxypropanamide
CID 62588428
N-[3-(methoxymethyl)phenyl]-2-thiophen-2-ylacetamide
CID 33287828
3-[[3-[(2-thiophen-2-ylacetyl)amino]benzoyl]amino]benzoic acid
CID 1026629
N-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide
CID 60813110
N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 43369161
N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide
CID 60803359

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide (CID 60803937) is N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide is NCC#Cc1cccc(NC(=O)Cc2cccs2)c1.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is RGMANOSOLIUIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c16-8-2-5-12-4-1-6-13(10-12)17-15(18)11-14-7-3-9-19-14/h1,3-4,6-7,9-10H,8,11,16H2,(H,17,18).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide?
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 270.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 60803937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).