N-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide

C20H22N2O4S — CID 4788568

IUPACN-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1C
InChIInChI=1S/C20H22N2O4S/c1-15-12-19(16(2)21(15)3)20(23)14-22(13-17-8-7-11-26-17)27(24,25)18-9-5-4-6-10-18/h4-12H,13-14H2,1-3H3
InChIKeyCFFCVZKFVTUATH-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.31
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide

N-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide (PubChem CID 4788568) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
PubChem CID4788568
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1C
InChIInChI=1S/C20H22N2O4S/c1-15-12-19(16(2)21(15)3)20(23)14-22(13-17-8-7-11-26-17)27(24,25)18-9-5-4-6-10-18/h4-12H,13-14H2,1-3H3
InChIKeyCFFCVZKFVTUATH-UHFFFAOYSA-N
XLogP3.31
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide (CID 4788568) is N-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide is Cc1cc(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1C.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is CFFCVZKFVTUATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15-12-19(16(2)21(15)3)20(23)14-22(13-17-8-7-11-26-17)27(24,25)18-9-5-4-6-10-18/h4-12H,13-14H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
N-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 4788568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).