N-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide

C16H19NO3S — CID 110886564

IUPACN-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCCN(CCO)C(=O)c1occc1CSc1ccccc1
InChIInChI=1S/C16H19NO3S/c1-2-17(9-10-18)16(19)15-13(8-11-20-15)12-21-14-6-4-3-5-7-14/h3-8,11,18H,2,9-10,12H2,1H3
InChIKeyQDWWVFHWUMZPRA-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.03
Rot. Bonds7

About N-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide

N-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 110886564) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID110886564
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCCN(CCO)C(=O)c1occc1CSc1ccccc1
InChIInChI=1S/C16H19NO3S/c1-2-17(9-10-18)16(19)15-13(8-11-20-15)12-21-14-6-4-3-5-7-14/h3-8,11,18H,2,9-10,12H2,1H3
InChIKeyQDWWVFHWUMZPRA-UHFFFAOYSA-N
XLogP3.03
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide (CID 110886564) is N-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide is CCN(CCO)C(=O)c1occc1CSc1ccccc1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is QDWWVFHWUMZPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-17(9-10-18)16(19)15-13(8-11-20-15)12-21-14-6-4-3-5-7-14/h3-8,11,18H,2,9-10,12H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 110886564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).