2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide

C21H26N2O4S — CID 55551505

IUPAC2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC2c2ccc(C)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H26N2O4S/c1-15-7-9-16(10-8-15)18-6-5-13-23(18)21(24)17-11-12-19(27-4)20(14-17)28(25,26)22(2)3/h7-12,14,18H,5-6,13H2,1-4H3
InChIKeyXPECZDWNZLGSFY-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.23
Rot. Bonds5

About 2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide

2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 55551505) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID55551505
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC2c2ccc(C)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H26N2O4S/c1-15-7-9-16(10-8-15)18-6-5-13-23(18)21(24)17-11-12-19(27-4)20(14-17)28(25,26)22(2)3/h7-12,14,18H,5-6,13H2,1-4H3
InChIKeyXPECZDWNZLGSFY-UHFFFAOYSA-N
XLogP3.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 55890354
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 25433626
2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 46637688
[2-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 55551826
2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 60605685
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 42202447
2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17027735
N-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 55388746
(3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 42938983
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 42936298

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide (CID 55551505) is 2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide is COc1ccc(C(=O)N2CCCC2c2ccc(C)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is XPECZDWNZLGSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-7-9-16(10-8-15)18-6-5-13-23(18)21(24)17-11-12-19(27-4)20(14-17)28(25,26)22(2)3/h7-12,14,18H,5-6,13H2,1-4H3.
What are the key properties of 2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55551505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).