5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide

C16H16ClNO2S — CID 38454806

IUPAC5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C16H16ClNO2S/c17-15-10-9-14(21-15)16(19)18-11-5-7-13(8-6-11)20-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,18,19)
InChIKeyDDONIKSOMIBHTD-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.98
Rot. Bonds4

About 5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide

5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide (PubChem CID 38454806) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide
PubChem CID38454806
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C16H16ClNO2S/c17-15-10-9-14(21-15)16(19)18-11-5-7-13(8-6-11)20-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,18,19)
InChIKeyDDONIKSOMIBHTD-UHFFFAOYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide (CID 38454806) is 5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide is O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide?
The InChIKey is DDONIKSOMIBHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-15-10-9-14(21-15)16(19)18-11-5-7-13(8-6-11)20-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,18,19).
What are the key properties of 5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide?
5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide has a molecular weight of 321.83 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 38454806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).