5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide

C17H12ClNO2S — CID 841081

IUPAC5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C17H12ClNO2S/c18-16-11-10-15(22-16)17(20)19-13-8-4-5-9-14(13)21-12-6-2-1-3-7-12/h1-11H,(H,19,20)
InChIKeyARUNLGSWDHCZNB-UHFFFAOYSA-N
MW329.81 g/mol
LogP5.45
Rot. Bonds4

About 5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide

5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide (PubChem CID 841081) has the molecular formula C17H12ClNO2S and a molecular weight of 329.81 g/mol. Its IUPAC name is 5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide
PubChem CID841081
Molecular FormulaC17H12ClNO2S
Molecular Weight329.81 g/mol
Exact Mass329.03
IUPAC Name5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C17H12ClNO2S/c18-16-11-10-15(22-16)17(20)19-13-8-4-5-9-14(13)21-12-6-2-1-3-7-12/h1-11H,(H,19,20)
InChIKeyARUNLGSWDHCZNB-UHFFFAOYSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.81
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-phenoxy-3-pyridinyl)thiophene-2-carboxamide
CID 43068513
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
N-(2-phenoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2348573
(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
CID 9294082
methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate
CID 55982604
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
6-methyl-N-(2-phenoxyphenyl)pyridazine-3-carboxamide
CID 110705367
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide
CID 100710300
methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate
CID 59140476
phenyl 5-chlorothiophene-2-carboxylate
CID 84819861
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide (CID 841081) is 5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide?
The InChIKey is ARUNLGSWDHCZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2S/c18-16-11-10-15(22-16)17(20)19-13-8-4-5-9-14(13)21-12-6-2-1-3-7-12/h1-11H,(H,19,20).
What are the key properties of 5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide?
5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide has a molecular weight of 329.81 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 841081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).