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

C20H18N2O3S — CID 27758223

IUPACN-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H18N2O3S/c23-19(21-11-12-25-17-8-2-1-3-9-17)15-6-4-7-16(14-15)22-20(24)18-10-5-13-26-18/h1-10,13-14H,11-12H2,(H,21,23)(H,22,24)
InChIKeyPFGDHJXOXVLOSX-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.81
Rot. Bonds7

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

N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 27758223) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID27758223
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H18N2O3S/c23-19(21-11-12-25-17-8-2-1-3-9-17)15-6-4-7-16(14-15)22-20(24)18-10-5-13-26-18/h1-10,13-14H,11-12H2,(H,21,23)(H,22,24)
InChIKeyPFGDHJXOXVLOSX-UHFFFAOYSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 34368537
N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8935656
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119621058
N-[3-[2-(4-methylphenyl)sulfanylethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55386652
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119621057
2-(4-ethoxyphenoxy)ethyl 3-(thiophene-2-carbonylamino)benzoate
CID 7492050
3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide
CID 33047741
N-[3-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18157126
N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27859245
N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 46421922
N-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9323762
N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide
CID 15231495

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 27758223) is N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(NCCOc1ccccc1)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is PFGDHJXOXVLOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-19(21-11-12-25-17-8-2-1-3-9-17)15-6-4-7-16(14-15)22-20(24)18-10-5-13-26-18/h1-10,13-14H,11-12H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 27758223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).