N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide

C14H15NOS2 — CID 107022163

IUPACN-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(S)cs1
InChIInChI=1S/C14H15NOS2/c1-2-15(9-11-6-4-3-5-7-11)14(16)13-8-12(17)10-18-13/h3-8,10,17H,2,9H2,1H3
InChIKeyOAWHMBVPCMIOFG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.70
Rot. Bonds4

About N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide

N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide (PubChem CID 107022163) has the molecular formula C14H15NOS2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide
PubChem CID107022163
Molecular FormulaC14H15NOS2
Molecular Weight277.41 g/mol
Exact Mass277.06
IUPAC NameN-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(S)cs1
InChIInChI=1S/C14H15NOS2/c1-2-15(9-11-6-4-3-5-7-11)14(16)13-8-12(17)10-18-13/h3-8,10,17H,2,9H2,1H3
InChIKeyOAWHMBVPCMIOFG-UHFFFAOYSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107020696
N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide
CID 110851810
N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024271
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide
CID 107022373
N-[(2-bromophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024313
N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide
CID 107022451
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047506
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 20889018
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide (CID 107022163) is N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(S)cs1.
What is the InChIKey of N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide?
The InChIKey is OAWHMBVPCMIOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS2/c1-2-15(9-11-6-4-3-5-7-11)14(16)13-8-12(17)10-18-13/h3-8,10,17H,2,9H2,1H3.
What are the key properties of N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide?
N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107022163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).