5-tert-butylsulfonyl-N-methylfuran-2-carboxamide

C10H15NO4S — CID 167085861

IUPAC5-tert-butylsulfonyl-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(S(=O)(=O)C(C)(C)C)o1
InChIInChI=1S/C10H15NO4S/c1-10(2,3)16(13,14)8-6-5-7(15-8)9(12)11-4/h5-6H,1-4H3,(H,11,12)
InChIKeyQFXPAOHSAJKTFN-UHFFFAOYSA-N
MW245.30 g/mol
LogP1.21
Rot. Bonds2

About 5-tert-butylsulfonyl-N-methylfuran-2-carboxamide

5-tert-butylsulfonyl-N-methylfuran-2-carboxamide (PubChem CID 167085861) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-tert-butylsulfonyl-N-methylfuran-2-carboxamide
PubChem CID167085861
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name5-tert-butylsulfonyl-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(S(=O)(=O)C(C)(C)C)o1
InChIInChI=1S/C10H15NO4S/c1-10(2,3)16(13,14)8-6-5-7(15-8)9(12)11-4/h5-6H,1-4H3,(H,11,12)
InChIKeyQFXPAOHSAJKTFN-UHFFFAOYSA-N
XLogP1.21
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonyl-N-methylfuran-2-carboxamide?
The IUPAC name of 5-tert-butylsulfonyl-N-methylfuran-2-carboxamide (CID 167085861) is 5-tert-butylsulfonyl-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-tert-butylsulfonyl-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-tert-butylsulfonyl-N-methylfuran-2-carboxamide is CNC(=O)c1ccc(S(=O)(=O)C(C)(C)C)o1.
What is the InChIKey of 5-tert-butylsulfonyl-N-methylfuran-2-carboxamide?
The InChIKey is QFXPAOHSAJKTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-10(2,3)16(13,14)8-6-5-7(15-8)9(12)11-4/h5-6H,1-4H3,(H,11,12).
What are the key properties of 5-tert-butylsulfonyl-N-methylfuran-2-carboxamide?
5-tert-butylsulfonyl-N-methylfuran-2-carboxamide has a molecular weight of 245.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonyl-N-methylfuran-2-carboxamide is sourced from PubChem (CID 167085861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).