N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C18H23NO4S2 — CID 71781696

IUPACN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCc1ccsc1C(O)CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C18H23NO4S2/c1-12(2)25(22,23)15-6-4-14(5-7-15)10-17(21)19-11-16(20)18-13(3)8-9-24-18/h4-9,12,16,20H,10-11H2,1-3H3,(H,19,21)
InChIKeyJXTHSJNZIQCFCT-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.63
Rot. Bonds7

About N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 71781696) has the molecular formula C18H23NO4S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID71781696
Molecular FormulaC18H23NO4S2
Molecular Weight381.52 g/mol
Exact Mass381.11
IUPAC NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCc1ccsc1C(O)CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C18H23NO4S2/c1-12(2)25(22,23)15-6-4-14(5-7-15)10-17(21)19-11-16(20)18-13(3)8-9-24-18/h4-9,12,16,20H,10-11H2,1-3H3,(H,19,21)
InChIKeyJXTHSJNZIQCFCT-UHFFFAOYSA-N
XLogP2.63
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 71781696) is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is Cc1ccsc1C(O)CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is JXTHSJNZIQCFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S2/c1-12(2)25(22,23)15-6-4-14(5-7-15)10-17(21)19-11-16(20)18-13(3)8-9-24-18/h4-9,12,16,20H,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 71781696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).