1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one

C24H25NO4S — CID 90586658

IUPAC1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one
SMILESCOc1ccc2ccccc2c1CCC(=O)N1CCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C24H25NO4S/c1-29-23-13-11-18-7-5-6-10-21(18)22(23)12-14-24(26)25-16-15-20(17-25)30(27,28)19-8-3-2-4-9-19/h2-11,13,20H,12,14-17H2,1H3
InChIKeyAUNZZAPHLMEAPH-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.86
Rot. Bonds6

About 1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one

1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one (PubChem CID 90586658) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one
PubChem CID90586658
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one
SMILESCOc1ccc2ccccc2c1CCC(=O)N1CCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C24H25NO4S/c1-29-23-13-11-18-7-5-6-10-21(18)22(23)12-14-24(26)25-16-15-20(17-25)30(27,28)19-8-3-2-4-9-19/h2-11,13,20H,12,14-17H2,1H3
InChIKeyAUNZZAPHLMEAPH-UHFFFAOYSA-N
XLogP3.86
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 121164374
3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
CID 121164888
1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 121186934
3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90616391
1-[4-(benzenesulfonyl)piperidin-1-yl]-3-(5-bromo-2-methoxyphenyl)propan-1-one
CID 90589247
3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 121160307
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(4-fluoro-3-methylphenyl)propan-1-one
CID 90586674
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-[5-bromo-2-(difluoromethoxy)phenyl]propan-1-one
CID 90586676
3-anthracen-9-yl-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]propan-1-one
CID 90592993
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 90584859
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-benzylsulfanylethanone
CID 71805586
3-(benzenesulfonyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90585047

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one?
The IUPAC name of 1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one (CID 90586658) is 1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one?
The canonical SMILES for 1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one is COc1ccc2ccccc2c1CCC(=O)N1CCC(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one?
The InChIKey is AUNZZAPHLMEAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-29-23-13-11-18-7-5-6-10-21(18)22(23)12-14-24(26)25-16-15-20(17-25)30(27,28)19-8-3-2-4-9-19/h2-11,13,20H,12,14-17H2,1H3.
What are the key properties of 1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one?
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one has a molecular weight of 423.53 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one is sourced from PubChem (CID 90586658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).