N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide

C18H24N2O2S — CID 110641829

IUPACN-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide
SMILESCc1cc(CNS(=O)(=O)CCc2ccccc2)c(C)n1C1CC1
InChIInChI=1S/C18H24N2O2S/c1-14-12-17(15(2)20(14)18-8-9-18)13-19-23(21,22)11-10-16-6-4-3-5-7-16/h3-7,12,18-19H,8-11,13H2,1-2H3
InChIKeyAVCSLANSDHEBEV-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.10
Rot. Bonds7

About N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide

N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide (PubChem CID 110641829) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide
PubChem CID110641829
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide
SMILESCc1cc(CNS(=O)(=O)CCc2ccccc2)c(C)n1C1CC1
InChIInChI=1S/C18H24N2O2S/c1-14-12-17(15(2)20(14)18-8-9-18)13-19-23(21,22)11-10-16-6-4-3-5-7-16/h3-7,12,18-19H,8-11,13H2,1-2H3
InChIKeyAVCSLANSDHEBEV-UHFFFAOYSA-N
XLogP3.10
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
CID 110641778
N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110786300
N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide
CID 103110484
N-[[3-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 114298015
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide
CID 110324486
N-[[4-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 107233959
N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide
CID 110731727
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110416011
N-[[3-(chloromethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 80690880
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylethanesulfonamide
CID 110322890
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110416549
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2-phenylethylamino)ethanone
CID 110655097

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide (CID 110641829) is N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide is Cc1cc(CNS(=O)(=O)CCc2ccccc2)c(C)n1C1CC1.
What is the InChIKey of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide?
The InChIKey is AVCSLANSDHEBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-14-12-17(15(2)20(14)18-8-9-18)13-19-23(21,22)11-10-16-6-4-3-5-7-16/h3-7,12,18-19H,8-11,13H2,1-2H3.
What are the key properties of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide?
N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 110641829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).