5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide

C16H19NO5S — CID 4682093

IUPAC5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC(C)C)o2)cc1
InChIInChI=1S/C16H19NO5S/c1-11(2)17-16(18)15-9-6-13(22-15)10-23(19,20)14-7-4-12(21-3)5-8-14/h4-9,11H,10H2,1-3H3,(H,17,18)
InChIKeyJNKNQRIMWPGZOB-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.40
Rot. Bonds6

About 5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide

5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 4682093) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID4682093
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Name5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC(C)C)o2)cc1
InChIInChI=1S/C16H19NO5S/c1-11(2)17-16(18)15-9-6-13(22-15)10-23(19,20)14-7-4-12(21-3)5-8-14/h4-9,11H,10H2,1-3H3,(H,17,18)
InChIKeyJNKNQRIMWPGZOB-UHFFFAOYSA-N
XLogP2.40
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide (CID 4682093) is 5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide is COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC(C)C)o2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is JNKNQRIMWPGZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-11(2)17-16(18)15-9-6-13(22-15)10-23(19,20)14-7-4-12(21-3)5-8-14/h4-9,11H,10H2,1-3H3,(H,17,18).
What are the key properties of 5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide?
5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 4682093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).