N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide

C15H15NO2S2 — CID 27022341

IUPACN-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cccc(C2SCCCS2)c1)c1ccoc1
InChIInChI=1S/C15H15NO2S2/c17-14(12-5-6-18-10-12)16-13-4-1-3-11(9-13)15-19-7-2-8-20-15/h1,3-6,9-10,15H,2,7-8H2,(H,16,17)
InChIKeyGMTUSVFIEALQKY-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.40
Rot. Bonds3

About N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide

N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide (PubChem CID 27022341) has the molecular formula C15H15NO2S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide
PubChem CID27022341
Molecular FormulaC15H15NO2S2
Molecular Weight305.42 g/mol
Exact Mass305.05
IUPAC NameN-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cccc(C2SCCCS2)c1)c1ccoc1
InChIInChI=1S/C15H15NO2S2/c17-14(12-5-6-18-10-12)16-13-4-1-3-11(9-13)15-19-7-2-8-20-15/h1,3-6,9-10,15H,2,7-8H2,(H,16,17)
InChIKeyGMTUSVFIEALQKY-UHFFFAOYSA-N
XLogP4.40
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-dithian-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 26129053
4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide
CID 27842666
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 60601174
N-[3-(1,3-dithian-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 27842518
3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide
CID 18208547
N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide
CID 32967833
4-(dimethylamino)-N-[3-(1,3-dithian-2-yl)phenyl]-3-nitrobenzamide
CID 27843009
N-[3-(1,3-dithiolan-2-yl)phenyl]-3-methylsulfonylbenzamide
CID 27889138
trans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 97204291
4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673294

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide (CID 27022341) is N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide is O=C(Nc1cccc(C2SCCCS2)c1)c1ccoc1.
What is the InChIKey of N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide?
The InChIKey is GMTUSVFIEALQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S2/c17-14(12-5-6-18-10-12)16-13-4-1-3-11(9-13)15-19-7-2-8-20-15/h1,3-6,9-10,15H,2,7-8H2,(H,16,17).
What are the key properties of N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide?
N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 4.40, 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-dithian-2-yl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 27022341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).