N-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide

C23H30N2O3S — CID 67218492

IUPACN-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide
SMILESCNC(=O)CCS(=O)(=O)c1ccc(-c2ccc(CCN3CCCC3C)cc2)cc1
InChIInChI=1S/C23H30N2O3S/c1-18-4-3-15-25(18)16-13-19-5-7-20(8-6-19)21-9-11-22(12-10-21)29(27,28)17-14-23(26)24-2/h5-12,18H,3-4,13-17H2,1-2H3,(H,24,26)
InChIKeyNOFGNTPWYBDPEY-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.29
Rot. Bonds8

About N-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide

N-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide (PubChem CID 67218492) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide
PubChem CID67218492
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide
SMILESCNC(=O)CCS(=O)(=O)c1ccc(-c2ccc(CCN3CCCC3C)cc2)cc1
InChIInChI=1S/C23H30N2O3S/c1-18-4-3-15-25(18)16-13-19-5-7-20(8-6-19)21-9-11-22(12-10-21)29(27,28)17-14-23(26)24-2/h5-12,18H,3-4,13-17H2,1-2H3,(H,24,26)
InChIKeyNOFGNTPWYBDPEY-UHFFFAOYSA-N
XLogP3.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpropanamide
CID 24897478
(2S)-1-[2-[4-[4-(2-methoxyethylsulfonyl)phenyl]phenyl]ethyl]-2-methylpyrrolidine
CID 24897681
1-[2-[4-[4-(methoxymethylsulfonyl)phenyl]phenyl]ethyl]-2-methylpyrrolidine
CID 67218599
(2R)-1-[2-[4-[4-(aziridin-1-ylsulfonyl)phenyl]phenyl]ethyl]-2-methylpyrrolidine
CID 24886607
N-cyclopropyl-4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 68595971
methyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylamino]acetate
CID 71130531
4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine
CID 24897480
N-benzyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886136
N-[1-(hydroxymethyl)cyclopentyl]-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 143604429
tert-butyl 2-[3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]propanoylamino]propanoate
CID 118558203
4-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonyl-1,4-thiazinane 1,1-dioxide
CID 56674421
4-[2-(2-methylpyrrolidin-1-yl)ethyl]benzoic acid
CID 79680062

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide?
The IUPAC name of N-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide (CID 67218492) is N-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide.
What is the SMILES notation for N-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide?
The canonical SMILES for N-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide is CNC(=O)CCS(=O)(=O)c1ccc(-c2ccc(CCN3CCCC3C)cc2)cc1.
What is the InChIKey of N-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide?
The InChIKey is NOFGNTPWYBDPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-18-4-3-15-25(18)16-13-19-5-7-20(8-6-19)21-9-11-22(12-10-21)29(27,28)17-14-23(26)24-2/h5-12,18H,3-4,13-17H2,1-2H3,(H,24,26).
What are the key properties of N-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide?
N-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide has a molecular weight of 414.57 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]sulfonylpropanamide is sourced from PubChem (CID 67218492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).