5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide

C13H15NOS3 — CID 46516732

IUPAC5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCSCc2cccs2)s1
InChIInChI=1S/C13H15NOS3/c1-10-4-5-12(18-10)13(15)14-6-8-16-9-11-3-2-7-17-11/h2-5,7H,6,8-9H2,1H3,(H,14,15)
InChIKeyBEEMGZINCOJBOY-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.78
Rot. Bonds6

About 5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide

5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide (PubChem CID 46516732) has the molecular formula C13H15NOS3 and a molecular weight of 297.47 g/mol. Its IUPAC name is 5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
PubChem CID46516732
Molecular FormulaC13H15NOS3
Molecular Weight297.47 g/mol
Exact Mass297.03
IUPAC Name5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCSCc2cccs2)s1
InChIInChI=1S/C13H15NOS3/c1-10-4-5-12(18-10)13(15)14-6-8-16-9-11-3-2-7-17-11/h2-5,7H,6,8-9H2,1H3,(H,14,15)
InChIKeyBEEMGZINCOJBOY-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46684444
[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 9060866
2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46819854
1-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide
CID 18086697
4-(methylsulfamoyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 17443070
5-methyl-3-phenyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide
CID 9472032
N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-9H-xanthene-9-carboxamide
CID 7993088
N-[3-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 27882717
N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2H-benzotriazole-5-carboxamide
CID 17408604
N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
CID 130710625
4-[(propan-2-ylcarbamoylamino)methyl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 9472075
5-acetyl-N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]thiophene-2-carboxamide
CID 30874958

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide (CID 46516732) is 5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCCSCc2cccs2)s1.
What is the InChIKey of 5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide?
The InChIKey is BEEMGZINCOJBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS3/c1-10-4-5-12(18-10)13(15)14-6-8-16-9-11-3-2-7-17-11/h2-5,7H,6,8-9H2,1H3,(H,14,15).
What are the key properties of 5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide?
5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide has a molecular weight of 297.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 46516732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).