3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide

C15H14N2OS — CID 60821661

IUPAC3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESNCC#Cc1cccc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C15H14N2OS/c16-8-2-5-12-4-1-6-13(10-12)15(18)17-11-14-7-3-9-19-14/h1,3-4,6-7,9-10H,8,11,16H2,(H,17,18)
InChIKeyQUMRSIRKQIGZJC-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.99
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide

3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 60821661) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID60821661
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESNCC#Cc1cccc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C15H14N2OS/c16-8-2-5-12-4-1-6-13(10-12)15(18)17-11-14-7-3-9-19-14/h1,3-4,6-7,9-10H,8,11,16H2,(H,17,18)
InChIKeyQUMRSIRKQIGZJC-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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

3-(3-aminoprop-1-ynyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65245267
3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 63798987
N-(4-amino-4-oxobutyl)-3-(3-aminoprop-1-ynyl)benzamide
CID 60865430
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide
CID 60803937
2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 81111983
3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102907703
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-5-bromothiophene-3-carboxamide
CID 107964035
2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 112522093
3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
CID 60821167
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide
CID 113485892

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide (CID 60821661) is 3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide is NCC#Cc1cccc(C(=O)NCc2cccs2)c1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is QUMRSIRKQIGZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c16-8-2-5-12-4-1-6-13(10-12)15(18)17-11-14-7-3-9-19-14/h1,3-4,6-7,9-10H,8,11,16H2,(H,17,18).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide?
3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 270.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 60821661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).