N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide

C15H14N2O3S — CID 86815046

IUPACN-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
SMILESCOCCOc1ccc(C#N)cc1NC(=O)c1cccs1
InChIInChI=1S/C15H14N2O3S/c1-19-6-7-20-13-5-4-11(10-16)9-12(13)17-15(18)14-3-2-8-21-14/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyFFWIWAOLFIXJPL-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.90
Rot. Bonds6

About N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide

N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 86815046) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
PubChem CID86815046
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
SMILESCOCCOc1ccc(C#N)cc1NC(=O)c1cccs1
InChIInChI=1S/C15H14N2O3S/c1-19-6-7-20-13-5-4-11(10-16)9-12(13)17-15(18)14-3-2-8-21-14/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyFFWIWAOLFIXJPL-UHFFFAOYSA-N
XLogP2.90
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 17454228
N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide
CID 86788421
N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide
CID 47311026
N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 75503520
3-fluoro-4-(4-oxo-4-thiophen-2-ylbutoxy)benzonitrile
CID 107666584
N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide
CID 863526
(2S)-N-(5-cyano-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 49182753
N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide
CID 39184898
ethyl 2-[2,5-diethoxy-4-(thiophene-2-carbonylamino)anilino]-2-oxoacetate
CID 3189536
N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide
CID 17131369
N'-(3-cyanobenzoyl)thiophene-2-carbohydrazide
CID 7979408
4-[[5-cyano-2-(2-methoxyethoxy)phenyl]carbamoyl]morpholine-2-carboxylic acid
CID 154782627

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide (CID 86815046) is N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide is COCCOc1ccc(C#N)cc1NC(=O)c1cccs1.
What is the InChIKey of N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is FFWIWAOLFIXJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-19-6-7-20-13-5-4-11(10-16)9-12(13)17-15(18)14-3-2-8-21-14/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide?
N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 86815046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).