3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide

C25H28N4O3S — CID 4170888

IUPAC3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2N2CCCCC2)cc1
InChIInChI=1S/C25H28N4O3S/c1-19-7-10-22(11-8-19)33(31,32)28-23-16-21(9-12-24(23)29-14-3-2-4-15-29)25(30)27-18-20-6-5-13-26-17-20/h5-13,16-17,28H,2-4,14-15,18H2,1H3,(H,27,30)
InChIKeyXXXJRLVWZQNFMO-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.11
Rot. Bonds7

About 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide

3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 4170888) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID4170888
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2N2CCCCC2)cc1
InChIInChI=1S/C25H28N4O3S/c1-19-7-10-22(11-8-19)33(31,32)28-23-16-21(9-12-24(23)29-14-3-2-4-15-29)25(30)27-18-20-6-5-13-26-17-20/h5-13,16-17,28H,2-4,14-15,18H2,1H3,(H,27,30)
InChIKeyXXXJRLVWZQNFMO-UHFFFAOYSA-N
XLogP4.11
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146059279
3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 46333576
N-benzyl-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059297
N-butan-2-yl-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide
CID 5164711
N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide
CID 20968018
3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 139390901
5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109226474
4-methyl-3-[(4-methylphenyl)sulfanylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 139390916
3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide
CID 46333589
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767776
4-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 87000480
N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide
CID 4101718

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide (CID 4170888) is 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2N2CCCCC2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is XXXJRLVWZQNFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-19-7-10-22(11-8-19)33(31,32)28-23-16-21(9-12-24(23)29-14-3-2-4-15-29)25(30)27-18-20-6-5-13-26-17-20/h5-13,16-17,28H,2-4,14-15,18H2,1H3,(H,27,30).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 464.59 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 4170888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).