N,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide

C17H15NOS — CID 71059237

IUPACN,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide
SMILESCN(C)C(=O)c1c(-c2ccsc2)ccc2ccccc12
InChIInChI=1S/C17H15NOS/c1-18(2)17(19)16-14-6-4-3-5-12(14)7-8-15(16)13-9-10-20-11-13/h3-11H,1-2H3
InChIKeyJVTANMYMANEZGL-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.27
Rot. Bonds2

About N,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide

N,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide (PubChem CID 71059237) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is N,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide
PubChem CID71059237
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC NameN,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide
SMILESCN(C)C(=O)c1c(-c2ccsc2)ccc2ccccc12
InChIInChI=1S/C17H15NOS/c1-18(2)17(19)16-14-6-4-3-5-12(14)7-8-15(16)13-9-10-20-11-13/h3-11H,1-2H3
InChIKeyJVTANMYMANEZGL-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279236
3-(1-bromonaphthalen-2-yl)thiophene
CID 68643635
2-methoxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279235
N,N-dimethylchrysene-1-carboxamide
CID 140682617
2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide
CID 10685706
N,N-dimethylacridine-9-carboxamide
CID 125496081
methyl 3-(2-thiophen-3-ylphenyl)propanoate
CID 70967888
N-[(2-thiophen-3-ylphenyl)methyl]undecanamide
CID 90596958
(3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone
CID 81430771
N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine
CID 170865988
2-thiophen-2-yl-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809924
3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide
CID 90596831

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide?
The IUPAC name of N,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide (CID 71059237) is N,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide?
The canonical SMILES for N,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide is CN(C)C(=O)c1c(-c2ccsc2)ccc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide?
The InChIKey is JVTANMYMANEZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-18(2)17(19)16-14-6-4-3-5-12(14)7-8-15(16)13-9-10-20-11-13/h3-11H,1-2H3.
What are the key properties of N,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide?
N,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide is sourced from PubChem (CID 71059237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).