N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide

C15H14N2OS2 — CID 8757192

IUPACN-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide
SMILESN#Cc1ccccc1CSCCNC(=O)c1ccsc1
InChIInChI=1S/C15H14N2OS2/c16-9-12-3-1-2-4-13(12)10-20-8-6-17-15(18)14-5-7-19-11-14/h1-5,7,11H,6,8,10H2,(H,17,18)
InChIKeyDCHPLGYUWQRAIW-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.28
Rot. Bonds6

About N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide

N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide (PubChem CID 8757192) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide
PubChem CID8757192
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC NameN-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide
SMILESN#Cc1ccccc1CSCCNC(=O)c1ccsc1
InChIInChI=1S/C15H14N2OS2/c16-9-12-3-1-2-4-13(12)10-20-8-6-17-15(18)14-5-7-19-11-14/h1-5,7,11H,6,8,10H2,(H,17,18)
InChIKeyDCHPLGYUWQRAIW-UHFFFAOYSA-N
XLogP3.28
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.28
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

N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-methoxybenzamide
CID 8757035
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,3-dimethylbenzamide
CID 46653390
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-phenylsulfanylacetamide
CID 8757140
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-hydroxyphenyl)propanamide
CID 46653285
N-[4-(2-benzylsulfanylethylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 18195771
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46819881
4-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methylsulfonylbenzamide
CID 17495051
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 47113018
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(diethylsulfamoyl)benzamide
CID 24548866
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methyl-1H-indole-3-carboxamide
CID 24515813
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
CID 8757159

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide (CID 8757192) is N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide is N#Cc1ccccc1CSCCNC(=O)c1ccsc1.
What is the InChIKey of N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide?
The InChIKey is DCHPLGYUWQRAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c16-9-12-3-1-2-4-13(12)10-20-8-6-17-15(18)14-5-7-19-11-14/h1-5,7,11H,6,8,10H2,(H,17,18).
What are the key properties of N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide?
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 8757192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).