N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide

C20H19NO2S — CID 17131369

IUPACN-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1OCCCc1ccccc1)c1cccs1
InChIInChI=1S/C20H19NO2S/c22-20(19-13-7-15-24-19)21-17-11-4-5-12-18(17)23-14-6-10-16-8-2-1-3-9-16/h1-5,7-9,11-13,15H,6,10,14H2,(H,21,22)
InChIKeyDNOJLAHNMGMBHW-UHFFFAOYSA-N
MW337.44 g/mol
LogP5.01
Rot. Bonds7

About N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide

N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide (PubChem CID 17131369) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide
PubChem CID17131369
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1OCCCc1ccccc1)c1cccs1
InChIInChI=1S/C20H19NO2S/c22-20(19-13-7-15-24-19)21-17-11-4-5-12-18(17)23-14-6-10-16-8-2-1-3-9-16/h1-5,7-9,11-13,15H,6,10,14H2,(H,21,22)
InChIKeyDNOJLAHNMGMBHW-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide
CID 55675242
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
4-[2-[2-[(4-ethylbenzoyl)amino]phenoxy]ethoxy]benzoic acid;4-[2-[2-(thiophene-2-carbonylamino)phenoxy]ethoxy]benzoic acid
CID 161453027
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131458
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131528
2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 168520539
N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17131462
4-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzoic acid
CID 67344551
5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 50954483

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide (CID 17131369) is N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1OCCCc1ccccc1)c1cccs1.
What is the InChIKey of N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is DNOJLAHNMGMBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c22-20(19-13-7-15-24-19)21-17-11-4-5-12-18(17)23-14-6-10-16-8-2-1-3-9-16/h1-5,7-9,11-13,15H,6,10,14H2,(H,21,22).
What are the key properties of N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide?
N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 337.44 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 17131369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).