2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide

C24H32FN3O5S — CID 30272123

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCCCC2)c2ccccc2F)cc1OC
InChIInChI=1S/C24H32FN3O5S/c1-32-22-12-11-19(17-23(22)33-2)34(30,31)28(21-10-5-4-9-20(21)25)18-24(29)26-13-8-16-27-14-6-3-7-15-27/h4-5,9-12,17H,3,6-8,13-16,18H2,1-2H3,(H,26,29)
InChIKeyNYTBBXGLIDYZAR-UHFFFAOYSA-N
MW493.60 g/mol
LogP3.03
Rot. Bonds11

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 30272123) has the molecular formula C24H32FN3O5S and a molecular weight of 493.60 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID30272123
Molecular FormulaC24H32FN3O5S
Molecular Weight493.60 g/mol
Exact Mass493.20
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCCCC2)c2ccccc2F)cc1OC
InChIInChI=1S/C24H32FN3O5S/c1-32-22-12-11-19(17-23(22)33-2)34(30,31)28(21-10-5-4-9-20(21)25)18-24(29)26-13-8-16-27-14-6-3-7-15-27/h4-5,9-12,17H,3,6-8,13-16,18H2,1-2H3,(H,26,29)
InChIKeyNYTBBXGLIDYZAR-UHFFFAOYSA-N
XLogP3.03
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 30273469
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 30273400
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[3-(4-methylphenyl)propyl]acetamide
CID 30271537
N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 30256831
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[3-(4-ethoxyphenyl)propyl]acetamide
CID 30301649
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43900649
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265573
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 30272961
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30264278
N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43900869
1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]piperidine-4-carboxamide
CID 30267622
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43901171

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide (CID 30272123) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCCCC2)c2ccccc2F)cc1OC.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is NYTBBXGLIDYZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O5S/c1-32-22-12-11-19(17-23(22)33-2)34(30,31)28(21-10-5-4-9-20(21)25)18-24(29)26-13-8-16-27-14-6-3-7-15-27/h4-5,9-12,17H,3,6-8,13-16,18H2,1-2H3,(H,26,29).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 493.60 g/mol, XLogP of 3.03, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 30272123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).