N-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide

C19H18N2O2S — CID 118472060

IUPACN-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide
SMILESO=C(CCCc1ccc(-c2cccnc2)s1)Nc1ccc(O)cc1
InChIInChI=1S/C19H18N2O2S/c22-16-8-6-15(7-9-16)21-19(23)5-1-4-17-10-11-18(24-17)14-3-2-12-20-13-14/h2-3,6-13,22H,1,4-5H2,(H,21,23)
InChIKeyLXSRCZCQWGUWFM-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.48
Rot. Bonds6

About N-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide

N-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide (PubChem CID 118472060) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide
PubChem CID118472060
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide
SMILESO=C(CCCc1ccc(-c2cccnc2)s1)Nc1ccc(O)cc1
InChIInChI=1S/C19H18N2O2S/c22-16-8-6-15(7-9-16)21-19(23)5-1-4-17-10-11-18(24-17)14-3-2-12-20-13-14/h2-3,6-13,22H,1,4-5H2,(H,21,23)
InChIKeyLXSRCZCQWGUWFM-UHFFFAOYSA-N
XLogP4.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide (CID 118472060) is N-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide is O=C(CCCc1ccc(-c2cccnc2)s1)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide?
The InChIKey is LXSRCZCQWGUWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c22-16-8-6-15(7-9-16)21-19(23)5-1-4-17-10-11-18(24-17)14-3-2-12-20-13-14/h2-3,6-13,22H,1,4-5H2,(H,21,23).
What are the key properties of N-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide?
N-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide has a molecular weight of 338.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide is sourced from PubChem (CID 118472060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).