N-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide

C16H19NO4S — CID 3574505

IUPACN-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccccc1CS(=O)(=O)CCC(=O)NCc1ccco1
InChIInChI=1S/C16H19NO4S/c1-13-5-2-3-6-14(13)12-22(19,20)10-8-16(18)17-11-15-7-4-9-21-15/h2-7,9H,8,10-12H2,1H3,(H,17,18)
InChIKeyYMIGPCAIPQKTAL-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.21
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide

N-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide (PubChem CID 3574505) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide
PubChem CID3574505
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccccc1CS(=O)(=O)CCC(=O)NCc1ccco1
InChIInChI=1S/C16H19NO4S/c1-13-5-2-3-6-14(13)12-22(19,20)10-8-16(18)17-11-15-7-4-9-21-15/h2-7,9H,8,10-12H2,1H3,(H,17,18)
InChIKeyYMIGPCAIPQKTAL-UHFFFAOYSA-N
XLogP2.21
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide (CID 3574505) is N-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide is Cc1ccccc1CS(=O)(=O)CCC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is YMIGPCAIPQKTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-13-5-2-3-6-14(13)12-22(19,20)10-8-16(18)17-11-15-7-4-9-21-15/h2-7,9H,8,10-12H2,1H3,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide?
N-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 321.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 3574505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).