N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide

C15H17NO3S — CID 103944448

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)N[C@@H](CO)c2ccccc2)o1
InChIInChI=1S/C15H17NO3S/c1-20-10-12-7-8-14(19-12)15(18)16-13(9-17)11-5-3-2-4-6-11/h2-8,13,17H,9-10H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyRDTXRQFUULVUMN-ZDUSSCGKSA-N
MW291.37 g/mol
LogP2.61
Rot. Bonds6

About N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide

N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide (PubChem CID 103944448) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
PubChem CID103944448
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)N[C@@H](CO)c2ccccc2)o1
InChIInChI=1S/C15H17NO3S/c1-20-10-12-7-8-14(19-12)15(18)16-13(9-17)11-5-3-2-4-6-11/h2-8,13,17H,9-10H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyRDTXRQFUULVUMN-ZDUSSCGKSA-N
XLogP2.61
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid
CID 61145316
N-(1-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 79253016
N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 113339313
3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351348
N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113272304
4-methyl-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanoic acid
CID 43170140
N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 60637044
4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295
(2S)-3-methyl-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanoic acid
CID 61172054
2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanedioic acid
CID 60830807
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
N-(3-methylbutan-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 43056886

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide (CID 103944448) is N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide is CSCc1ccc(C(=O)N[C@@H](CO)c2ccccc2)o1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is RDTXRQFUULVUMN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-20-10-12-7-8-14(19-12)15(18)16-13(9-17)11-5-3-2-4-6-11/h2-8,13,17H,9-10H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 103944448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).