N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide

C11H17NO3S — CID 71875126

IUPACN-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide
SMILESCC(C)(O)CSCCNC(=O)c1ccco1
InChIInChI=1S/C11H17NO3S/c1-11(2,14)8-16-7-5-12-10(13)9-4-3-6-15-9/h3-4,6,14H,5,7-8H2,1-2H3,(H,12,13)
InChIKeyKIPLVQGCMIDXFA-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.51
Rot. Bonds6

About N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide

N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide (PubChem CID 71875126) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide
PubChem CID71875126
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide
SMILESCC(C)(O)CSCCNC(=O)c1ccco1
InChIInChI=1S/C11H17NO3S/c1-11(2,14)8-16-7-5-12-10(13)9-4-3-6-15-9/h3-4,6,14H,5,7-8H2,1-2H3,(H,12,13)
InChIKeyKIPLVQGCMIDXFA-UHFFFAOYSA-N
XLogP1.51
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172562
N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
CID 119278256
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide
CID 122159869
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide
CID 95740792
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide
CID 126180652
N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 103711886
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 64555440
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide (CID 71875126) is N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide is CC(C)(O)CSCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide?
The InChIKey is KIPLVQGCMIDXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,14)8-16-7-5-12-10(13)9-4-3-6-15-9/h3-4,6,14H,5,7-8H2,1-2H3,(H,12,13).
What are the key properties of N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide?
N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide is sourced from PubChem (CID 71875126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).