5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide

C17H21NO4S — CID 3419683

IUPAC5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NC(C)C)o1
InChIInChI=1S/C17H21NO4S/c1-12(2)18-17(19)16-9-8-15(22-16)11-23(20,21)10-14-7-5-4-6-13(14)3/h4-9,12H,10-11H2,1-3H3,(H,18,19)
InChIKeyIXKPQZUQVORWDH-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.84
Rot. Bonds6

About 5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide

5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 3419683) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID3419683
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NC(C)C)o1
InChIInChI=1S/C17H21NO4S/c1-12(2)18-17(19)16-9-8-15(22-16)11-23(20,21)10-14-7-5-4-6-13(14)3/h4-9,12H,10-11H2,1-3H3,(H,18,19)
InChIKeyIXKPQZUQVORWDH-UHFFFAOYSA-N
XLogP2.84
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide (CID 3419683) is 5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide is Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NC(C)C)o1.
What is the InChIKey of 5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is IXKPQZUQVORWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-12(2)18-17(19)16-9-8-15(22-16)11-23(20,21)10-14-7-5-4-6-13(14)3/h4-9,12H,10-11H2,1-3H3,(H,18,19).
What are the key properties of 5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide?
5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methylsulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 3419683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).