2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide

C27H31NO2S — CID 132670053

IUPAC2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C27H31NO2S/c1-5-25(30-23-17-13-21(14-18-23)27(2,3)4)26(29)28-22-15-11-20(12-16-22)19-31-24-9-7-6-8-10-24/h6-18,25H,5,19H2,1-4H3,(H,28,29)
InChIKeyONTVAOZQNNWCDL-UHFFFAOYSA-N
MW433.62 g/mol
LogP7.07
Rot. Bonds8

About 2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide

2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide (PubChem CID 132670053) has the molecular formula C27H31NO2S and a molecular weight of 433.62 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
PubChem CID132670053
Molecular FormulaC27H31NO2S
Molecular Weight433.62 g/mol
Exact Mass433.21
IUPAC Name2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C27H31NO2S/c1-5-25(30-23-17-13-21(14-18-23)27(2,3)4)26(29)28-22-15-11-20(12-16-22)19-31-24-9-7-6-8-10-24/h6-18,25H,5,19H2,1-4H3,(H,28,29)
InChIKeyONTVAOZQNNWCDL-UHFFFAOYSA-N
XLogP7.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.62
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,4-dimethylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 94019252
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923
2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659062
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287
(2S)-2-(4-tert-butylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507876
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071471
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066992
2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide
CID 132654391

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide (CID 132670053) is 2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide is CCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide?
The InChIKey is ONTVAOZQNNWCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2S/c1-5-25(30-23-17-13-21(14-18-23)27(2,3)4)26(29)28-22-15-11-20(12-16-22)19-31-24-9-7-6-8-10-24/h6-18,25H,5,19H2,1-4H3,(H,28,29).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide?
2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide has a molecular weight of 433.62 g/mol, XLogP of 7.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide is sourced from PubChem (CID 132670053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).