5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide

C25H29NO2S — CID 141148339

IUPAC5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide
SMILESCc1cc(OC(C)c2ccc(C(N)=O)s2)cc(C)c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H29NO2S/c1-15-13-20(28-17(3)21-11-12-22(29-21)24(26)27)14-16(2)23(15)18-7-9-19(10-8-18)25(4,5)6/h7-14,17H,1-6H3,(H2,26,27)
InChIKeyWOTOLOGFAMQTAF-UHFFFAOYSA-N
MW407.58 g/mol
LogP6.57
Rot. Bonds5

About 5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide

5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide (PubChem CID 141148339) has the molecular formula C25H29NO2S and a molecular weight of 407.58 g/mol. Its IUPAC name is 5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide
PubChem CID141148339
Molecular FormulaC25H29NO2S
Molecular Weight407.58 g/mol
Exact Mass407.19
IUPAC Name5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide
SMILESCc1cc(OC(C)c2ccc(C(N)=O)s2)cc(C)c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H29NO2S/c1-15-13-20(28-17(3)21-11-12-22(29-21)24(26)27)14-16(2)23(15)18-7-9-19(10-8-18)25(4,5)6/h7-14,17H,1-6H3,(H2,26,27)
InChIKeyWOTOLOGFAMQTAF-UHFFFAOYSA-N
XLogP6.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.58
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide (CID 141148339) is 5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide is Cc1cc(OC(C)c2ccc(C(N)=O)s2)cc(C)c1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide?
The InChIKey is WOTOLOGFAMQTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2S/c1-15-13-20(28-17(3)21-11-12-22(29-21)24(26)27)14-16(2)23(15)18-7-9-19(10-8-18)25(4,5)6/h7-14,17H,1-6H3,(H2,26,27).
What are the key properties of 5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide?
5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide has a molecular weight of 407.58 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 141148339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).