N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide

C16H24N2O4S — CID 50946275

IUPACN-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
SMILESCOc1ccc(C)cc1N(C(C)C(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-12-7-8-15(22-3)14(11-12)18(23(4,20)21)13(2)16(19)17-9-5-6-10-17/h7-8,11,13H,5-6,9-10H2,1-4H3
InChIKeyRXBZAERAVFUVGM-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.78
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide

N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide (PubChem CID 50946275) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
PubChem CID50946275
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
SMILESCOc1ccc(C)cc1N(C(C)C(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-12-7-8-15(22-3)14(11-12)18(23(4,20)21)13(2)16(19)17-9-5-6-10-17/h7-8,11,13H,5-6,9-10H2,1-4H3
InChIKeyRXBZAERAVFUVGM-UHFFFAOYSA-N
XLogP1.78
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 95119201
1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95186261
N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-methoxy-5-methylphenyl)methanesulfonamide
CID 132673624
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118554
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118793
N-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 98054106
1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 8991567
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 125072461
N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(3,4-dimethylphenyl)methanesulfonamide
CID 2975386
2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347501
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 125071297
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133240716

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide (CID 50946275) is N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide is COc1ccc(C)cc1N(C(C)C(=O)N1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The InChIKey is RXBZAERAVFUVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-7-8-15(22-3)14(11-12)18(23(4,20)21)13(2)16(19)17-9-5-6-10-17/h7-8,11,13H,5-6,9-10H2,1-4H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 50946275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).