N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C21H24N2O4S — CID 16676310

IUPACN-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(C2(NS(=O)(=O)c3cc(N4CCCC4=O)ccc3C)CC2)cc1
InChIInChI=1S/C21H24N2O4S/c1-15-5-8-17(23-13-3-4-20(23)24)14-19(15)28(25,26)22-21(11-12-21)16-6-9-18(27-2)10-7-16/h5-10,14,22H,3-4,11-13H2,1-2H3
InChIKeyCTHLVLUYWPIZBC-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.10
Rot. Bonds6

About N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 16676310) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID16676310
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(C2(NS(=O)(=O)c3cc(N4CCCC4=O)ccc3C)CC2)cc1
InChIInChI=1S/C21H24N2O4S/c1-15-5-8-17(23-13-3-4-20(23)24)14-19(15)28(25,26)22-21(11-12-21)16-6-9-18(27-2)10-7-16/h5-10,14,22H,3-4,11-13H2,1-2H3
InChIKeyCTHLVLUYWPIZBC-UHFFFAOYSA-N
XLogP3.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide
CID 16673933
2-methoxy-N-[(4-methoxyphenyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295654
N-(2-methoxy-3-pyridinyl)-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46966844
N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 98137630
N-(2-chloro-4-methoxyphenyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 86858451
1-[1-(4-methoxyphenyl)cyclopentyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100771647
N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113091086
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096887
methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate
CID 35530952
2-methoxy-N-(3-methoxyphenyl)-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295704
methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate
CID 75443856

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 16676310) is N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide is COc1ccc(C2(NS(=O)(=O)c3cc(N4CCCC4=O)ccc3C)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is CTHLVLUYWPIZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-15-5-8-17(23-13-3-4-20(23)24)14-19(15)28(25,26)22-21(11-12-21)16-6-9-18(27-2)10-7-16/h5-10,14,22H,3-4,11-13H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 16676310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).