1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide

C25H28FN3O4S — CID 24655315

IUPAC1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C)n(-c4ccccc4F)c3C)CC2)cc1
InChIInChI=1S/C25H28FN3O4S/c1-17-16-22(18(2)29(17)24-7-5-4-6-23(24)26)25(30)27-19-12-14-28(15-13-19)34(31,32)21-10-8-20(33-3)9-11-21/h4-11,16,19H,12-15H2,1-3H3,(H,27,30)
InChIKeyHBEWFALAYAYEDR-UHFFFAOYSA-N
MW485.58 g/mol
LogP3.82
Rot. Bonds6

About 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide

1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 24655315) has the molecular formula C25H28FN3O4S and a molecular weight of 485.58 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID24655315
Molecular FormulaC25H28FN3O4S
Molecular Weight485.58 g/mol
Exact Mass485.18
IUPAC Name1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C)n(-c4ccccc4F)c3C)CC2)cc1
InChIInChI=1S/C25H28FN3O4S/c1-17-16-22(18(2)29(17)24-7-5-4-6-23(24)26)25(30)27-19-12-14-28(15-13-19)34(31,32)21-10-8-20(33-3)9-11-21/h4-11,16,19H,12-15H2,1-3H3,(H,27,30)
InChIKeyHBEWFALAYAYEDR-UHFFFAOYSA-N
XLogP3.82
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 55991329
N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 25394128
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-sulfanylbenzamide
CID 108561601
1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 86964132
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
4-fluoro-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 30217209
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide
CID 24668840
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1334438
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 24611994
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide (CID 24655315) is 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide is COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C)n(-c4ccccc4F)c3C)CC2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is HBEWFALAYAYEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4S/c1-17-16-22(18(2)29(17)24-7-5-4-6-23(24)26)25(30)27-19-12-14-28(15-13-19)34(31,32)21-10-8-20(33-3)9-11-21/h4-11,16,19H,12-15H2,1-3H3,(H,27,30).
What are the key properties of 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 485.58 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 24655315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).