N-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide

C14H16N2O3S — CID 102336067

IUPACN-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide
SMILESCn1cc(-c2ccccc2)cc1C(=O)CNS(C)(=O)=O
InChIInChI=1S/C14H16N2O3S/c1-16-10-12(11-6-4-3-5-7-11)8-13(16)14(17)9-15-20(2,18)19/h3-8,10,15H,9H2,1-2H3
InChIKeyYNGQXOXNKYNMGM-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.42
Rot. Bonds5

About N-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide

N-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 102336067) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide
PubChem CID102336067
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide
SMILESCn1cc(-c2ccccc2)cc1C(=O)CNS(C)(=O)=O
InChIInChI=1S/C14H16N2O3S/c1-16-10-12(11-6-4-3-5-7-11)8-13(16)14(17)9-15-20(2,18)19/h3-8,10,15H,9H2,1-2H3
InChIKeyYNGQXOXNKYNMGM-UHFFFAOYSA-N
XLogP1.42
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide (CID 102336067) is N-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide is Cn1cc(-c2ccccc2)cc1C(=O)CNS(C)(=O)=O.
What is the InChIKey of N-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is YNGQXOXNKYNMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-16-10-12(11-6-4-3-5-7-11)8-13(16)14(17)9-15-20(2,18)19/h3-8,10,15H,9H2,1-2H3.
What are the key properties of N-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide?
N-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-4-phenylpyrrol-2-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 102336067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).