N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide

C17H13NOS — CID 3594199

IUPACN-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H13NOS/c19-17(10-9-16-6-3-11-20-16)18-15-8-7-13-4-1-2-5-14(13)12-15/h1-12H,(H,18,19)
InChIKeyCAPBPVUBSNGEQU-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.55
Rot. Bonds3

About N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide

N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide (PubChem CID 3594199) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
PubChem CID3594199
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC NameN-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H13NOS/c19-17(10-9-16-6-3-11-20-16)18-15-8-7-13-4-1-2-5-14(13)12-15/h1-12H,(H,18,19)
InChIKeyCAPBPVUBSNGEQU-UHFFFAOYSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 18146464
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964
N-(3-amino-4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 76932979
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
(E)-3-(2-fluorophenyl)-N-naphthalen-2-ylprop-2-enamide
CID 8762219
naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate
CID 8886119
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
4-(naphthalen-2-ylamino)-4-oxobut-2-enoic acid
CID 740391

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide (CID 3594199) is N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is CAPBPVUBSNGEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c19-17(10-9-16-6-3-11-20-16)18-15-8-7-13-4-1-2-5-14(13)12-15/h1-12H,(H,18,19).
What are the key properties of N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide?
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 279.36 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 3594199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).