N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide

C18H28N2O3S — CID 126794993

IUPACN-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCCc1ccc(C(C)(C)CNC(=O)C2CCCN2S(C)(=O)=O)cc1
InChIInChI=1S/C18H28N2O3S/c1-5-14-8-10-15(11-9-14)18(2,3)13-19-17(21)16-7-6-12-20(16)24(4,22)23/h8-11,16H,5-7,12-13H2,1-4H3,(H,19,21)
InChIKeyPJHWAPIAVYOYMX-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.07
Rot. Bonds6

About N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide

N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 126794993) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID126794993
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCCc1ccc(C(C)(C)CNC(=O)C2CCCN2S(C)(=O)=O)cc1
InChIInChI=1S/C18H28N2O3S/c1-5-14-8-10-15(11-9-14)18(2,3)13-19-17(21)16-7-6-12-20(16)24(4,22)23/h8-11,16H,5-7,12-13H2,1-4H3,(H,19,21)
InChIKeyPJHWAPIAVYOYMX-UHFFFAOYSA-N
XLogP2.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 126770196
2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 124585096
2,2-dimethyl-3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 81368766
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 60607475
(2S)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 95375103
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 66172342
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide
CID 119334148
1-methylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 134039566
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119334163
N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 63311449

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 126794993) is N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide is CCc1ccc(C(C)(C)CNC(=O)C2CCCN2S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is PJHWAPIAVYOYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-5-14-8-10-15(11-9-14)18(2,3)13-19-17(21)16-7-6-12-20(16)24(4,22)23/h8-11,16H,5-7,12-13H2,1-4H3,(H,19,21).
What are the key properties of N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 126794993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).