1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

C25H31N3O5S — CID 30872943

IUPAC1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)CC2)cc1
InChIInChI=1S/C25H31N3O5S/c1-2-33-22-8-10-23(11-9-22)34(31,32)28-16-12-19(13-17-28)24(29)26-21-7-5-6-20(18-21)25(30)27-14-3-4-15-27/h5-11,18-19H,2-4,12-17H2,1H3,(H,26,29)
InChIKeyUAIVTOXPGMQBAS-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.36
Rot. Bonds7

About 1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide (PubChem CID 30872943) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
PubChem CID30872943
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)CC2)cc1
InChIInChI=1S/C25H31N3O5S/c1-2-33-22-8-10-23(11-9-22)34(31,32)28-16-12-19(13-17-28)24(29)26-21-7-5-6-20(18-21)25(30)27-14-3-4-15-27/h5-11,18-19H,2-4,12-17H2,1H3,(H,26,29)
InChIKeyUAIVTOXPGMQBAS-UHFFFAOYSA-N
XLogP3.36
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 34169348
N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 30872924
1-(3,4-dimethylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 7947516
N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915615
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylphenyl)methanone
CID 26869057
azepan-1-yl-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 35062852
(3S)-N-(3-cyanophenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 125047723
N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1327585
1-(4-ethoxyphenyl)sulfonyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 30859462
N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 108545962
ethyl 4-[4-[(3-propoxyphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 38826126

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide (CID 30872943) is 1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The InChIKey is UAIVTOXPGMQBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-2-33-22-8-10-23(11-9-22)34(31,32)28-16-12-19(13-17-28)24(29)26-21-7-5-6-20(18-21)25(30)27-14-3-4-15-27/h5-11,18-19H,2-4,12-17H2,1H3,(H,26,29).
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 30872943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).