1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide

C19H22N2O5S — CID 46586257

IUPAC1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C19H22N2O5S/c1-25-17-11-10-14(13-18(17)26-2)20-19(22)16-9-6-12-21(16)27(23,24)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3,(H,20,22)
InChIKeyYRYBZKYYZUIORJ-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.50
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide

1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 46586257) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID46586257
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C19H22N2O5S/c1-25-17-11-10-14(13-18(17)26-2)20-19(22)16-9-6-12-21(16)27(23,24)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3,(H,20,22)
InChIKeyYRYBZKYYZUIORJ-UHFFFAOYSA-N
XLogP2.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 46482849
1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 55584183
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide
CID 2648526
N-(4-anilinophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 108789803
1,4-bis(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)piperazine-2-carboxamide
CID 2864601
3-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 108789701
(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 25483977
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18846716
1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxy-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 108789861
tert-butyl N-[5-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-2-methoxyphenyl]carbamate
CID 55654774
1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide
CID 43059447
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide (CID 46586257) is 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is YRYBZKYYZUIORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-17-11-10-14(13-18(17)26-2)20-19(22)16-9-6-12-21(16)27(23,24)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3,(H,20,22).
What are the key properties of 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide?
1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46586257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).