N-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide

C22H14N2O4S3 — CID 2838064

IUPACN-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(=O)c3cccs3)ccc1-2)c1cccs1
InChIInChI=1S/C22H14N2O4S3/c25-21(17-3-1-9-29-17)23-13-5-7-15-16-8-6-14(24-22(26)18-4-2-10-30-18)12-20(16)31(27,28)19(15)11-13/h1-12H,(H,23,25)(H,24,26)
InChIKeyJXDVTVOGPHHHOU-UHFFFAOYSA-N
MW466.57 g/mol
LogP5.13
Rot. Bonds4

About N-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide

N-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide (PubChem CID 2838064) has the molecular formula C22H14N2O4S3 and a molecular weight of 466.57 g/mol. Its IUPAC name is N-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide
PubChem CID2838064
Molecular FormulaC22H14N2O4S3
Molecular Weight466.57 g/mol
Exact Mass466.01
IUPAC NameN-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(=O)c3cccs3)ccc1-2)c1cccs1
InChIInChI=1S/C22H14N2O4S3/c25-21(17-3-1-9-29-17)23-13-5-7-15-16-8-6-14(24-22(26)18-4-2-10-30-18)12-20(16)31(27,28)19(15)11-13/h1-12H,(H,23,25)(H,24,26)
InChIKeyJXDVTVOGPHHHOU-UHFFFAOYSA-N
XLogP5.13
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.57
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Cambridge id 5272675
CID 1377411
N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide
CID 7267028
N-hydroxy-6-(2-phenylacetamido)benzo[b]thiophene-2-carboxamide
CID 11255848
6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11302939
N-hydroxy-6-(3-phenylpropanamido)benzo[b]thiophene-2-carboxamide
CID 11359758
6-benzamido-N-hydroxybenzo[b]thiophene-2-carboxamide
CID 11449785
N-hydroxy-6-(2-phenylbutanamido)benzo[b]thiophene-2-carboxamide
CID 11485016
(S)-N-hydroxy-6-(2-phenylbutanamido)benzo[b]thiophene-2-carboxamide
CID 44440684
(R)-N-hydroxy-6-(2-phenylbutanamido)benzo[b]thiophene-2-carboxamide
CID 44440685
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 2162831
N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 4028035
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 4194680

Frequently Asked Questions

What is the IUPAC name of N-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide (CID 2838064) is N-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide is O=C(Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(=O)c3cccs3)ccc1-2)c1cccs1.
What is the InChIKey of N-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide?
The InChIKey is JXDVTVOGPHHHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O4S3/c25-21(17-3-1-9-29-17)23-13-5-7-15-16-8-6-14(24-22(26)18-4-2-10-30-18)12-20(16)31(27,28)19(15)11-13/h1-12H,(H,23,25)(H,24,26).
What are the key properties of N-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide?
N-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide has a molecular weight of 466.57 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,5-dioxo-7-(thiophene-2-carbonylamino)dibenzothiophen-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2838064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).