4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide

C23H25N3O2S — CID 36996936

IUPAC4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C23H25N3O2S/c27-23(25-16-21(22-4-3-15-29-22)26-13-1-2-14-26)19-5-7-20(8-6-19)28-17-18-9-11-24-12-10-18/h3-12,15,21H,1-2,13-14,16-17H2,(H,25,27)/t21-/m1/s1
InChIKeyIHJRUDHZHCWJSL-OAQYLSRUSA-N
MW407.54 g/mol
LogP4.29
Rot. Bonds8

About 4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide

4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide (PubChem CID 36996936) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
PubChem CID36996936
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C23H25N3O2S/c27-23(25-16-21(22-4-3-15-29-22)26-13-1-2-14-26)19-5-7-20(8-6-19)28-17-18-9-11-24-12-10-18/h3-12,15,21H,1-2,13-14,16-17H2,(H,25,27)/t21-/m1/s1
InChIKeyIHJRUDHZHCWJSL-OAQYLSRUSA-N
XLogP4.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 17012429
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-phenylmethoxybenzamide
CID 2510532
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide;hydrochloride
CID 52984636
4-(2-methylpropoxy)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35123222
4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35340992
4-(difluoromethoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 46522609
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide
CID 17012146
4-bromo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012026
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34949920

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide (CID 36996936) is 4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide is O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(OCc2ccncc2)cc1.
What is the InChIKey of 4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is IHJRUDHZHCWJSL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N3O2S/c27-23(25-16-21(22-4-3-15-29-22)26-13-1-2-14-26)19-5-7-20(8-6-19)28-17-18-9-11-24-12-10-18/h3-12,15,21H,1-2,13-14,16-17H2,(H,25,27)/t21-/m1/s1.
What are the key properties of 4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide?
4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 407.54 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 36996936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).