N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide

C17H23NO3S — CID 86948803

IUPACN-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide
SMILESCCc1ccc(C(NC(=O)c2ccc(SC)o2)C(C)(C)C)o1
InChIInChI=1S/C17H23NO3S/c1-6-11-7-8-12(20-11)15(17(2,3)4)18-16(19)13-9-10-14(21-13)22-5/h7-10,15H,6H2,1-5H3,(H,18,19)
InChIKeyZOKWEPNXCGCWHL-UHFFFAOYSA-N
MW321.44 g/mol
LogP4.67
Rot. Bonds5

About N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide

N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide (PubChem CID 86948803) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide
PubChem CID86948803
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC NameN-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide
SMILESCCc1ccc(C(NC(=O)c2ccc(SC)o2)C(C)(C)C)o1
InChIInChI=1S/C17H23NO3S/c1-6-11-7-8-12(20-11)15(17(2,3)4)18-16(19)13-9-10-14(21-13)22-5/h7-10,15H,6H2,1-5H3,(H,18,19)
InChIKeyZOKWEPNXCGCWHL-UHFFFAOYSA-N
XLogP4.67
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 93054886
1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea
CID 111175801
(4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 96568903
(3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 98891805
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethylfuran-2-carboxamide
CID 79084469
N'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide
CID 129433234
N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride
CID 120832608
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 61143786
N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide
CID 78989486
2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81077617
3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351348

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide?
The IUPAC name of N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide (CID 86948803) is N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide?
The canonical SMILES for N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide is CCc1ccc(C(NC(=O)c2ccc(SC)o2)C(C)(C)C)o1.
What is the InChIKey of N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide?
The InChIKey is ZOKWEPNXCGCWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-6-11-7-8-12(20-11)15(17(2,3)4)18-16(19)13-9-10-14(21-13)22-5/h7-10,15H,6H2,1-5H3,(H,18,19).
What are the key properties of N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide?
N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide has a molecular weight of 321.44 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide is sourced from PubChem (CID 86948803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).