N-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide

C22H24N2O2S — CID 161213213

IUPACN-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide
SMILESCCCCC(Oc1cccc(C(=O)NCc2ccccn2)c1)c1cccs1
InChIInChI=1S/C22H24N2O2S/c1-2-3-11-20(21-12-7-14-27-21)26-19-10-6-8-17(15-19)22(25)24-16-18-9-4-5-13-23-18/h4-10,12-15,20H,2-3,11,16H2,1H3,(H,24,25)
InChIKeyUWMZLNSVNZCCAH-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.38
Rot. Bonds9

About N-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide

N-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide (PubChem CID 161213213) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide
PubChem CID161213213
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide
SMILESCCCCC(Oc1cccc(C(=O)NCc2ccccn2)c1)c1cccs1
InChIInChI=1S/C22H24N2O2S/c1-2-3-11-20(21-12-7-14-27-21)26-19-10-6-8-17(15-19)22(25)24-16-18-9-4-5-13-23-18/h4-10,12-15,20H,2-3,11,16H2,1H3,(H,24,25)
InChIKeyUWMZLNSVNZCCAH-UHFFFAOYSA-N
XLogP5.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide
CID 4015400
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105911
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054965
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109055004
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054963
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide
CID 35511449

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide (CID 161213213) is N-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide is CCCCC(Oc1cccc(C(=O)NCc2ccccn2)c1)c1cccs1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide?
The InChIKey is UWMZLNSVNZCCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-2-3-11-20(21-12-7-14-27-21)26-19-10-6-8-17(15-19)22(25)24-16-18-9-4-5-13-23-18/h4-10,12-15,20H,2-3,11,16H2,1H3,(H,24,25).
What are the key properties of N-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide?
N-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide has a molecular weight of 380.51 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide is sourced from PubChem (CID 161213213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).