N,N-diethyl-4-thiophen-2-ylbenzamide

C15H17NOS — CID 4730824

IUPACN,N-diethyl-4-thiophen-2-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C15H17NOS/c1-3-16(4-2)15(17)13-9-7-12(8-10-13)14-6-5-11-18-14/h5-11H,3-4H2,1-2H3
InChIKeyNDHJMZDOLQLBQJ-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.90
Rot. Bonds4

About N,N-diethyl-4-thiophen-2-ylbenzamide

N,N-diethyl-4-thiophen-2-ylbenzamide (PubChem CID 4730824) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N,N-diethyl-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-thiophen-2-ylbenzamide
PubChem CID4730824
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN,N-diethyl-4-thiophen-2-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C15H17NOS/c1-3-16(4-2)15(17)13-9-7-12(8-10-13)14-6-5-11-18-14/h5-11H,3-4H2,1-2H3
InChIKeyNDHJMZDOLQLBQJ-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-methyl-4-thiophen-2-ylbenzamide
CID 141207941
N,N-diethylthiophene-2-carboxamide
CID 962897
CID 69259223
CID 69259223
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone
CID 102408721
4-thiophen-2-ylbenzoyl chloride
CID 158319353
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
CID 174412487
CID 174412487
4-thiophen-2-ylbenzamide;hydrochloride
CID 175969827
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-thiophen-2-ylbenzamide?
The IUPAC name of N,N-diethyl-4-thiophen-2-ylbenzamide (CID 4730824) is N,N-diethyl-4-thiophen-2-ylbenzamide.
What is the SMILES notation for N,N-diethyl-4-thiophen-2-ylbenzamide?
The canonical SMILES for N,N-diethyl-4-thiophen-2-ylbenzamide is CCN(CC)C(=O)c1ccc(-c2cccs2)cc1.
What is the InChIKey of N,N-diethyl-4-thiophen-2-ylbenzamide?
The InChIKey is NDHJMZDOLQLBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-3-16(4-2)15(17)13-9-7-12(8-10-13)14-6-5-11-18-14/h5-11H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-thiophen-2-ylbenzamide?
N,N-diethyl-4-thiophen-2-ylbenzamide has a molecular weight of 259.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 4730824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).