N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide

C15H15NO3S — CID 847833

IUPACN-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(C2OCCCO2)c1)c1cccs1
InChIInChI=1S/C15H15NO3S/c17-14(13-6-2-9-20-13)16-12-5-1-4-11(10-12)15-18-7-3-8-19-15/h1-2,4-6,9-10,15H,3,7-8H2,(H,16,17)
InChIKeyBIVHKXOESNLHLX-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.44
Rot. Bonds3

About N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide

N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 847833) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID847833
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(C2OCCCO2)c1)c1cccs1
InChIInChI=1S/C15H15NO3S/c17-14(13-6-2-9-20-13)16-12-5-1-4-11(10-12)15-18-7-3-8-19-15/h1-2,4-6,9-10,15H,3,7-8H2,(H,16,17)
InChIKeyBIVHKXOESNLHLX-UHFFFAOYSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide
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CID 75471137
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CID 1334806
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 106913178
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-(3-cyclopentylsulfonylphenyl)thiophene-2-carboxamide
CID 39209914
1-oxido-N-[3-(thiophene-2-carbonylamino)phenyl]pyridin-1-ium-3-carboxamide
CID 31518553
N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
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N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide
CID 119701038

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide (CID 847833) is N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(C2OCCCO2)c1)c1cccs1.
What is the InChIKey of N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is BIVHKXOESNLHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-14(13-6-2-9-20-13)16-12-5-1-4-11(10-12)15-18-7-3-8-19-15/h1-2,4-6,9-10,15H,3,7-8H2,(H,16,17).
What are the key properties of N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide?
N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 847833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).