2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide

C14H16N2O4S — CID 2963960

IUPAC2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C14H16N2O4S/c1-11(14(17)15-10-12-6-5-9-20-12)16-21(18,19)13-7-3-2-4-8-13/h2-9,11,16H,10H2,1H3,(H,15,17)
InChIKeyXJZAONVLKIGDLN-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.26
Rot. Bonds6

About 2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide

2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide (PubChem CID 2963960) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide
PubChem CID2963960
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C14H16N2O4S/c1-11(14(17)15-10-12-6-5-9-20-12)16-21(18,19)13-7-3-2-4-8-13/h2-9,11,16H,10H2,1H3,(H,15,17)
InChIKeyXJZAONVLKIGDLN-UHFFFAOYSA-N
XLogP1.26
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide (CID 2963960) is 2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide is CC(NS(=O)(=O)c1ccccc1)C(=O)NCc1ccco1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is XJZAONVLKIGDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-11(14(17)15-10-12-6-5-9-20-12)16-21(18,19)13-7-3-2-4-8-13/h2-9,11,16H,10H2,1H3,(H,15,17).
What are the key properties of 2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide?
2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 308.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 2963960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).