2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide

C20H24N2O4S — CID 60605685

IUPAC2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H24N2O4S/c1-21(2)27(24,25)19-13-16(9-10-18(19)26-3)20(23)22-12-11-17(14-22)15-7-5-4-6-8-15/h4-10,13,17H,11-12,14H2,1-3H3
InChIKeyFUUJDBDHAWBTHO-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.58
Rot. Bonds5

About 2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide

2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 60605685) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID60605685
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H24N2O4S/c1-21(2)27(24,25)19-13-16(9-10-18(19)26-3)20(23)22-12-11-17(14-22)15-7-5-4-6-8-15/h4-10,13,17H,11-12,14H2,1-3H3
InChIKeyFUUJDBDHAWBTHO-UHFFFAOYSA-N
XLogP2.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 139000603
2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17027735
(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
CID 121146218
2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660961
5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 55890354
2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 39580688
2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55551505
5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 15922038
2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide
CID 55587046
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(3S)-1-[4-methoxy-3-(methylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125118224
2-methoxy-N,N-dimethyl-5-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzenesulfonamide
CID 31920606

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 60605685) is 2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide is COc1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is FUUJDBDHAWBTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-21(2)27(24,25)19-13-16(9-10-18(19)26-3)20(23)22-12-11-17(14-22)15-7-5-4-6-8-15/h4-10,13,17H,11-12,14H2,1-3H3.
What are the key properties of 2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide?
2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.58, 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-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 60605685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).