N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide

C19H23NO3S — CID 56764035

IUPACN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide
SMILESCc1ccsc1C(O)CNC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H23NO3S/c1-14-7-12-24-17(14)16(21)13-20-18(22)19(8-10-23-11-9-19)15-5-3-2-4-6-15/h2-7,12,16,21H,8-11,13H2,1H3,(H,20,22)
InChIKeyLPRVXLIKOZCOPB-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.95
Rot. Bonds5

About N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide (PubChem CID 56764035) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide
PubChem CID56764035
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide
SMILESCc1ccsc1C(O)CNC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H23NO3S/c1-14-7-12-24-17(14)16(21)13-20-18(22)19(8-10-23-11-9-19)15-5-3-2-4-6-15/h2-7,12,16,21H,8-11,13H2,1H3,(H,20,22)
InChIKeyLPRVXLIKOZCOPB-UHFFFAOYSA-N
XLogP2.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide (CID 56764035) is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide is Cc1ccsc1C(O)CNC(=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide?
The InChIKey is LPRVXLIKOZCOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-7-12-24-17(14)16(21)13-20-18(22)19(8-10-23-11-9-19)15-5-3-2-4-6-15/h2-7,12,16,21H,8-11,13H2,1H3,(H,20,22).
What are the key properties of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide?
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide has a molecular weight of 345.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 56764035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).