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

C20H25N3O3S — CID 2355921

IUPACN-ethyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H25N3O3S/c1-2-22(16-17-9-11-21-12-10-17)20(24)18-7-6-8-19(15-18)27(25,26)23-13-4-3-5-14-23/h6-12,15H,2-5,13-14,16H2,1H3
InChIKeyINGRIQDGTMTRFR-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.92
Rot. Bonds6

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

N-ethyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 2355921) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-ethyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID2355921
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-ethyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H25N3O3S/c1-2-22(16-17-9-11-21-12-10-17)20(24)18-7-6-8-19(15-18)27(25,26)23-13-4-3-5-14-23/h6-12,15H,2-5,13-14,16H2,1H3
InChIKeyINGRIQDGTMTRFR-UHFFFAOYSA-N
XLogP2.92
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-ethyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide (CID 2355921) is N-ethyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide is CCN(Cc1ccncc1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-ethyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is INGRIQDGTMTRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-2-22(16-17-9-11-21-12-10-17)20(24)18-7-6-8-19(15-18)27(25,26)23-13-4-3-5-14-23/h6-12,15H,2-5,13-14,16H2,1H3.
What are the key properties of N-ethyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide?
N-ethyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 2355921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).