N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

C24H31N3O3S — CID 92682536

IUPACN-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H31N3O3S/c28-24(25-18-20-8-12-23(13-9-20)26-14-2-1-3-15-26)22-10-6-21(7-11-22)19-31(29,30)27-16-4-5-17-27/h6-13H,1-5,14-19H2,(H,25,28)
InChIKeyUSAHZXWUVAMITB-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.53
Rot. Bonds7

About N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (PubChem CID 92682536) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
PubChem CID92682536
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H31N3O3S/c28-24(25-18-20-8-12-23(13-9-20)26-14-2-1-3-15-26)22-10-6-21(7-11-22)19-31(29,30)27-16-4-5-17-27/h6-13H,1-5,14-19H2,(H,25,28)
InChIKeyUSAHZXWUVAMITB-UHFFFAOYSA-N
XLogP3.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393897
N-[(4-pyrrolidin-1-ylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 35620277
1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine
CID 168512260
1-[(4-methylphenyl)methylsulfonyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 30392390
N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 28576425
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921
N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 53285943
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
4-[(S)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616770
N-[(4-piperidin-1-ylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704007
4-[(R)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616767

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (CID 92682536) is N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is USAHZXWUVAMITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c28-24(25-18-20-8-12-23(13-9-20)26-14-2-1-3-15-26)22-10-6-21(7-11-22)19-31(29,30)27-16-4-5-17-27/h6-13H,1-5,14-19H2,(H,25,28).
What are the key properties of N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 441.60 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 92682536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).