N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C16H24N2O3S — CID 15318368

IUPACN,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O3S/c1-4-17(5-2)16(19)15-7-6-12-18(15)22(20,21)14-10-8-13(3)9-11-14/h8-11,15H,4-7,12H2,1-3H3
InChIKeyFSKQHXDHMPNTDK-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.02
Rot. Bonds5

About N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 15318368) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID15318368
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O3S/c1-4-17(5-2)16(19)15-7-6-12-18(15)22(20,21)14-10-8-13(3)9-11-14/h8-11,15H,4-7,12H2,1-3H3
InChIKeyFSKQHXDHMPNTDK-UHFFFAOYSA-N
XLogP2.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-one
CID 12643847
ethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 25421169
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
(2S)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 31641558
(2S)-N-[2-[ethyl(methyl)amino]ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 60592948
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127968
(2S)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 1457949
[1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110395047
[1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55941516
(4-ethylpiperazin-1-yl)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methanone
CID 2320019
(2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 60592755

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 15318368) is N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is CCN(CC)C(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is FSKQHXDHMPNTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-4-17(5-2)16(19)15-7-6-12-18(15)22(20,21)14-10-8-13(3)9-11-14/h8-11,15H,4-7,12H2,1-3H3.
What are the key properties of N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 15318368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).