1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide

C16H24N2O4S — CID 43888284

IUPAC1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1CCCN1S(=O)(=O)c1cc(OC)ccc1C
InChIInChI=1S/C16H24N2O4S/c1-4-9-17-16(19)14-6-5-10-18(14)23(20,21)15-11-13(22-3)8-7-12(15)2/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyXEQPEGSCLCICES-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.68
Rot. Bonds6

About 1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide

1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide (PubChem CID 43888284) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
PubChem CID43888284
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1CCCN1S(=O)(=O)c1cc(OC)ccc1C
InChIInChI=1S/C16H24N2O4S/c1-4-9-17-16(19)14-6-5-10-18(14)23(20,21)15-11-13(22-3)8-7-12(15)2/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyXEQPEGSCLCICES-UHFFFAOYSA-N
XLogP1.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methoxy-2-methylphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43888306
N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43888288
(2R)-N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127642
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 30128088
(2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127968
N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43888426
(4-ethylpiperazin-1-yl)-[(2S)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 30128102
butyl 4-[[(2R)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 30128167
butyl 4-[[(2S)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 30128164
(2S)-N-benzhydryl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30128206
dimethyl 5-[[1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 43888424
(2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127867

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide (CID 43888284) is 1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide is CCCNC(=O)C1CCCN1S(=O)(=O)c1cc(OC)ccc1C.
What is the InChIKey of 1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide?
The InChIKey is XEQPEGSCLCICES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-9-17-16(19)14-6-5-10-18(14)23(20,21)15-11-13(22-3)8-7-12(15)2/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,17,19).
What are the key properties of 1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide?
1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43888284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).