2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide

C12H9Cl2NO2S — CID 41450667

IUPAC2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide
SMILESO=C(NOCc1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl2NO2S/c13-10-6-9(11(14)18-10)12(16)15-17-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,15,16)
InChIKeyAYIPAHKBBZJGDY-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.92
Rot. Bonds4

About 2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide

2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide (PubChem CID 41450667) has the molecular formula C12H9Cl2NO2S and a molecular weight of 302.18 g/mol. Its IUPAC name is 2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide
PubChem CID41450667
Molecular FormulaC12H9Cl2NO2S
Molecular Weight302.18 g/mol
Exact Mass300.97
IUPAC Name2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide
SMILESO=C(NOCc1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl2NO2S/c13-10-6-9(11(14)18-10)12(16)15-17-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,15,16)
InChIKeyAYIPAHKBBZJGDY-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55694329
2,5-dichloro-N-[[2-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55694446
2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide
CID 18229256
2,5-dichloro-N-(4-methyl-2-phenylmethoxyphenyl)thiophene-3-carboxamide
CID 55888940
2,5-dimethyl-N-phenylmethoxybenzamide
CID 9227271
4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide
CID 32581114
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
3,6-dichloro-N-phenylmethoxy-1-benzothiophene-2-carboxamide
CID 16639718
2,3,4-trifluoro-N-phenylmethoxybenzamide
CID 79749238
2-chloro-3-nitro-N-phenylmethoxybenzamide
CID 107856439
3-bromo-5-chloro-N-phenylmethoxybenzamide
CID 103826514
2-bromo-5-methyl-N-phenylmethoxybenzamide
CID 80962365

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide (CID 41450667) is 2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide is O=C(NOCc1ccccc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide?
The InChIKey is AYIPAHKBBZJGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2S/c13-10-6-9(11(14)18-10)12(16)15-17-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,15,16).
What are the key properties of 2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide?
2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide has a molecular weight of 302.18 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide is sourced from PubChem (CID 41450667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).