3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide

C14H11NOS — CID 154718442

IUPAC3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCc1cccs1
InChIInChI=1S/C14H11NOS/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h1-7,10H,11H2,(H,15,16)
InChIKeyQBQCINQQACFHBR-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.42
Rot. Bonds2

About 3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide

3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide (PubChem CID 154718442) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide.

Molecular Properties

Compound Name3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide
PubChem CID154718442
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCc1cccs1
InChIInChI=1S/C14H11NOS/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h1-7,10H,11H2,(H,15,16)
InChIKeyQBQCINQQACFHBR-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid
CID 5289378
Tifacogin
CID 961320
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CID 566340
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
N-benzyl-2-(phenylthio)acetamide
CID 846429
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
N-[2-(4-fluorophenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 808451
N-(3-phenylpropyl)-2-thiophen-2-ylacetamide
CID 2299844
2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4779994
3-[(2-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4988112

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide?
The IUPAC name of 3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide (CID 154718442) is 3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide.
What is the SMILES notation for 3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide?
The canonical SMILES for 3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide is O=C(C#Cc1ccccc1)NCc1cccs1.
What is the InChIKey of 3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide?
The InChIKey is QBQCINQQACFHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h1-7,10H,11H2,(H,15,16).
What are the key properties of 3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide?
3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide has a molecular weight of 241.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide is sourced from PubChem (CID 154718442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).