(E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide

C20H23NOS — CID 60575625

IUPAC(E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide
SMILESCCCN(C(=O)/C=C/c1ccsc1)C1CCc2ccccc2C1
InChIInChI=1S/C20H23NOS/c1-2-12-21(20(22)10-7-16-11-13-23-15-16)19-9-8-17-5-3-4-6-18(17)14-19/h3-7,10-11,13,15,19H,2,8-9,12,14H2,1H3/b10-7+
InChIKeySGDWBRFYUKNRAV-JXMROGBWSA-N
MW325.48 g/mol
LogP4.56
Rot. Bonds5

About (E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide

(E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide (PubChem CID 60575625) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is (E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide
PubChem CID60575625
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name(E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide
SMILESCCCN(C(=O)/C=C/c1ccsc1)C1CCc2ccccc2C1
InChIInChI=1S/C20H23NOS/c1-2-12-21(20(22)10-7-16-11-13-23-15-16)19-9-8-17-5-3-4-6-18(17)14-19/h3-7,10-11,13,15,19H,2,8-9,12,14H2,1H3/b10-7+
InChIKeySGDWBRFYUKNRAV-JXMROGBWSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide (CID 60575625) is (E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide is CCCN(C(=O)/C=C/c1ccsc1)C1CCc2ccccc2C1.
What is the InChIKey of (E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide?
The InChIKey is SGDWBRFYUKNRAV-JXMROGBWSA-N. The full InChI is InChI=1S/C20H23NOS/c1-2-12-21(20(22)10-7-16-11-13-23-15-16)19-9-8-17-5-3-4-6-18(17)14-19/h3-7,10-11,13,15,19H,2,8-9,12,14H2,1H3/b10-7+.
What are the key properties of (E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide?
(E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide has a molecular weight of 325.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 60575625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).