N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide

C15H17NO3S — CID 46992810

IUPACN-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide
SMILESCSc1ccc(CN(CCO)C(=O)c2ccco2)cc1
InChIInChI=1S/C15H17NO3S/c1-20-13-6-4-12(5-7-13)11-16(8-9-17)15(18)14-3-2-10-19-14/h2-7,10,17H,8-9,11H2,1H3
InChIKeyFIGMZWKRRVZGLE-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.64
Rot. Bonds6

About N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide

N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide (PubChem CID 46992810) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide
PubChem CID46992810
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide
SMILESCSc1ccc(CN(CCO)C(=O)c2ccco2)cc1
InChIInChI=1S/C15H17NO3S/c1-20-13-6-4-12(5-7-13)11-16(8-9-17)15(18)14-3-2-10-19-14/h2-7,10,17H,8-9,11H2,1H3
InChIKeyFIGMZWKRRVZGLE-UHFFFAOYSA-N
XLogP2.64
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide
CID 39237533
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 46983806
2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol
CID 46996409
N,N-bis(2-chloroethyl)furan-2-carboxamide
CID 15923
N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 78843578
N-benzyl-N-(cyanomethyl)furan-2-carboxamide
CID 61035761
3-[furan-2-carbonyl-[(4-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 82324405
2-[furan-2-carbonyl(hydroxymethyl)amino]acetic acid
CID 126504893
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
N-(2-aminoethyl)-N-ethylfuran-2-carboxamide
CID 28707635

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide (CID 46992810) is N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide is CSc1ccc(CN(CCO)C(=O)c2ccco2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide?
The InChIKey is FIGMZWKRRVZGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-20-13-6-4-12(5-7-13)11-16(8-9-17)15(18)14-3-2-10-19-14/h2-7,10,17H,8-9,11H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide?
N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 46992810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).