N-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide

C21H27N3O3S — CID 2334644

IUPACN-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H27N3O3S/c1-3-23(16-18-9-11-22-12-10-18)21(25)19-8-7-17(2)20(15-19)28(26,27)24-13-5-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3
InChIKeyHXSRUCHUEGCERD-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.23
Rot. Bonds6

About N-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide

N-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 2334644) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID2334644
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H27N3O3S/c1-3-23(16-18-9-11-22-12-10-18)21(25)19-8-7-17(2)20(15-19)28(26,27)24-13-5-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3
InChIKeyHXSRUCHUEGCERD-UHFFFAOYSA-N
XLogP3.23
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide (CID 2334644) is N-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide is CCN(Cc1ccncc1)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is HXSRUCHUEGCERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-3-23(16-18-9-11-22-12-10-18)21(25)19-8-7-17(2)20(15-19)28(26,27)24-13-5-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide?
N-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 401.53 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 2334644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).