N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide

C16H18N2O2S — CID 91629732

IUPACN-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NC(c1cccnc1)C1CCOCC1)c1ccsc1
InChIInChI=1S/C16H18N2O2S/c19-16(14-5-9-21-11-14)18-15(12-3-7-20-8-4-12)13-2-1-6-17-10-13/h1-2,5-6,9-12,15H,3-4,7-8H2,(H,18,19)
InChIKeyDCEICLREKAVZCE-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.04
Rot. Bonds4

About N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide

N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide (PubChem CID 91629732) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide
PubChem CID91629732
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NC(c1cccnc1)C1CCOCC1)c1ccsc1
InChIInChI=1S/C16H18N2O2S/c19-16(14-5-9-21-11-14)18-15(12-3-7-20-8-4-12)13-2-1-6-17-10-13/h1-2,5-6,9-12,15H,3-4,7-8H2,(H,18,19)
InChIKeyDCEICLREKAVZCE-UHFFFAOYSA-N
XLogP3.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide (CID 91629732) is N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide is O=C(NC(c1cccnc1)C1CCOCC1)c1ccsc1.
What is the InChIKey of N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide?
The InChIKey is DCEICLREKAVZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-16(14-5-9-21-11-14)18-15(12-3-7-20-8-4-12)13-2-1-6-17-10-13/h1-2,5-6,9-12,15H,3-4,7-8H2,(H,18,19).
What are the key properties of N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide?
N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 91629732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).