N-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide

C17H21NO3S — CID 46984220

IUPACN-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCC(CO)N(Cc1cccs1)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C17H21NO3S/c1-2-14(12-19)18(11-16-4-3-9-22-16)17(21)10-13-5-7-15(20)8-6-13/h3-9,14,19-20H,2,10-12H2,1H3
InChIKeyGDJSREVSCBMZPA-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.80
Rot. Bonds7

About N-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide

N-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 46984220) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID46984220
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCC(CO)N(Cc1cccs1)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C17H21NO3S/c1-2-14(12-19)18(11-16-4-3-9-22-16)17(21)10-13-5-7-15(20)8-6-13/h3-9,14,19-20H,2,10-12H2,1H3
InChIKeyGDJSREVSCBMZPA-UHFFFAOYSA-N
XLogP2.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide (CID 46984220) is N-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide is CCC(CO)N(Cc1cccs1)C(=O)Cc1ccc(O)cc1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GDJSREVSCBMZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-2-14(12-19)18(11-16-4-3-9-22-16)17(21)10-13-5-7-15(20)8-6-13/h3-9,14,19-20H,2,10-12H2,1H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
N-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 46984220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).