N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

C21H22N2O2S — CID 52906800

IUPACN-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(N(Cc1ccccn1)Cc1ccco1)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H22N2O2S/c24-20(21(10-2-3-11-21)19-9-6-14-26-19)23(16-18-8-5-13-25-18)15-17-7-1-4-12-22-17/h1,4-9,12-14H,2-3,10-11,15-16H2
InChIKeyYNZJUYFWOQGWOB-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.78
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 52906800) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID52906800
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(N(Cc1ccccn1)Cc1ccco1)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H22N2O2S/c24-20(21(10-2-3-11-21)19-9-6-14-26-19)23(16-18-8-5-13-25-18)15-17-7-1-4-12-22-17/h1,4-9,12-14H,2-3,10-11,15-16H2
InChIKeyYNZJUYFWOQGWOB-UHFFFAOYSA-N
XLogP4.78
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-furan-2-yl-methyl)-pyridin-3-yl-carbamoyl]-methyl}-amide
CID 649544
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-3-(2-furylmethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1310757
2-(Furan-2-YL)-N-[(4-methoxyphenyl)methyl]-2-[N-(pyridin-3-YL)-2-(thiophen-2-YL)acetamido]acetamide
CID 3210865
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211119
N-Cyclopentyl-2-[2-(furan-2-ylformamido)-N-(pyridin-3-YL)acetamido]-2-(thiophen-2-YL)acetamide
CID 3211413
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211640
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211832
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211853
Thiophene-2-carboxylic acid ({[(1,1-dimethyl-propylcarbamoyl)-furan-2-yl-methyl]-pyridin-3-yl-carbamoyl}-methyl)-amide
CID 3215310
N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216731

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 52906800) is N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(N(Cc1ccccn1)Cc1ccco1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is YNZJUYFWOQGWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c24-20(21(10-2-3-11-21)19-9-6-14-26-19)23(16-18-8-5-13-25-18)15-17-7-1-4-12-22-17/h1,4-9,12-14H,2-3,10-11,15-16H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 52906800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).