5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide

C15H15ClN2O2S — CID 96547612

IUPAC5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(C[C@H]1CCCO1)c1ccncc1
InChIInChI=1S/C15H15ClN2O2S/c16-14-4-3-13(21-14)15(19)18(10-12-2-1-9-20-12)11-5-7-17-8-6-11/h3-8,12H,1-2,9-10H2/t12-/m1/s1
InChIKeyIHNRKWMWBLBMEP-GFCCVEGCSA-N
MW322.82 g/mol
LogP3.62
Rot. Bonds4

About 5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide

5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 96547612) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide
PubChem CID96547612
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(C[C@H]1CCCO1)c1ccncc1
InChIInChI=1S/C15H15ClN2O2S/c16-14-4-3-13(21-14)15(19)18(10-12-2-1-9-20-12)11-5-7-17-8-6-11/h3-8,12H,1-2,9-10H2/t12-/m1/s1
InChIKeyIHNRKWMWBLBMEP-GFCCVEGCSA-N
XLogP3.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide
CID 136525666
5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 96547592
N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
CID 146105531
N-[[(2S)-oxolan-2-yl]methyl]-N-pyridin-4-ylquinoxaline-2-carboxamide
CID 129370507
N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylindolizine-2-carboxamide
CID 95777230
2-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 96547608
5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide
CID 126829951
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
5-chloro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 26330943
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 44919431
5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 47327915
2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide
CID 167810660

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide (CID 96547612) is 5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide is O=C(c1ccc(Cl)s1)N(C[C@H]1CCCO1)c1ccncc1.
What is the InChIKey of 5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is IHNRKWMWBLBMEP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-14-4-3-13(21-14)15(19)18(10-12-2-1-9-20-12)11-5-7-17-8-6-11/h3-8,12H,1-2,9-10H2/t12-/m1/s1.
What are the key properties of 5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide?
5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 96547612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).