N-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide

C16H17NOS — CID 91610141

IUPACN-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide
SMILESC=CCNC(=O)c1cccc(CCc2ccsc2)c1
InChIInChI=1S/C16H17NOS/c1-2-9-17-16(18)15-5-3-4-13(11-15)6-7-14-8-10-19-12-14/h2-5,8,10-12H,1,6-7,9H2,(H,17,18)
InChIKeyRYCSGXUCIHLBQH-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.45
Rot. Bonds6

About N-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide

N-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide (PubChem CID 91610141) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide
PubChem CID91610141
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide
SMILESC=CCNC(=O)c1cccc(CCc2ccsc2)c1
InChIInChI=1S/C16H17NOS/c1-2-9-17-16(18)15-5-3-4-13(11-15)6-7-14-8-10-19-12-14/h2-5,8,10-12H,1,6-7,9H2,(H,17,18)
InChIKeyRYCSGXUCIHLBQH-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(methylsulfanylmethyl)-N-prop-2-enylbenzamide
CID 60667719
N-prop-2-enyl-3-pyrrol-1-ylbenzamide
CID 35154530
1-N-[2-(4-chlorophenyl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050914
3-cyano-N-prop-2-enylbenzamide
CID 24701030
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
3-nitro-N-prop-2-enylbenzamide
CID 2832220
2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 79279865
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-thiophen-3-ylpropanoate
CID 30060919
3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050974
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
N-methyl-3-[[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]methyl]benzamide
CID 111940417
methyl 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzoate
CID 54449983

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide?
The IUPAC name of N-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide (CID 91610141) is N-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for N-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for N-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide is C=CCNC(=O)c1cccc(CCc2ccsc2)c1.
What is the InChIKey of N-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide?
The InChIKey is RYCSGXUCIHLBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-2-9-17-16(18)15-5-3-4-13(11-15)6-7-14-8-10-19-12-14/h2-5,8,10-12H,1,6-7,9H2,(H,17,18).
What are the key properties of N-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide?
N-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide has a molecular weight of 271.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 91610141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).