4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide

C24H26N4O4S — CID 59419418

IUPAC4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1
InChIInChI=1S/C24H26N4O4S/c1-32-20-8-10-21(11-9-20)33(30,31)28-16-2-3-22(28)23(25)17-4-6-18(7-5-17)24(29)27-19-12-14-26-15-13-19/h4-15,22-23H,2-3,16,25H2,1H3,(H,26,27,29)
InChIKeyVUIAAPPZPIFSPI-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.20
Rot. Bonds7

About 4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide

4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide (PubChem CID 59419418) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
PubChem CID59419418
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1
InChIInChI=1S/C24H26N4O4S/c1-32-20-8-10-21(11-9-20)33(30,31)28-16-2-3-22(28)23(25)17-4-6-18(7-5-17)24(29)27-19-12-14-26-15-13-19/h4-15,22-23H,2-3,16,25H2,1H3,(H,26,27,29)
InChIKeyVUIAAPPZPIFSPI-UHFFFAOYSA-N
XLogP3.20
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[amino-[1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67538294
4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
CID 11149812
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
4-[amino-[1-(2-cyclohexyl-2-phenylacetyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67537013
methyl 4-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304570
methyl 4-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304571
4-[amino-[1-(2-ethyl-2-phenylbutanoyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67535709
4-[amino-[1-(2-methyl-2-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67537559
4-[amino-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67536728
4-[(S)-amino-[1-(2,3-dihydro-1H-inden-1-ylmethyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 71220544
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67538548

Frequently Asked Questions

What is the IUPAC name of 4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide (CID 59419418) is 4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide is COc1ccc(S(=O)(=O)N2CCCC2C(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1.
What is the InChIKey of 4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide?
The InChIKey is VUIAAPPZPIFSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-32-20-8-10-21(11-9-20)33(30,31)28-16-2-3-22(28)23(25)17-4-6-18(7-5-17)24(29)27-19-12-14-26-15-13-19/h4-15,22-23H,2-3,16,25H2,1H3,(H,26,27,29).
What are the key properties of 4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide?
4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide has a molecular weight of 466.56 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 59419418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).