2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide

C12H8Cl2N2O2S — CID 2117879

IUPAC2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H8Cl2N2O2S/c13-8-3-1-2-6(9(8)14)11(18)16-12-7(10(15)17)4-5-19-12/h1-5H,(H2,15,17)(H,16,18)
InChIKeyHHZQIAXGLBWXCT-UHFFFAOYSA-N
MW315.18 g/mol
LogP3.41
Rot. Bonds3

About 2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide

2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide (PubChem CID 2117879) has the molecular formula C12H8Cl2N2O2S and a molecular weight of 315.18 g/mol. Its IUPAC name is 2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide
PubChem CID2117879
Molecular FormulaC12H8Cl2N2O2S
Molecular Weight315.18 g/mol
Exact Mass313.97
IUPAC Name2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H8Cl2N2O2S/c13-8-3-1-2-6(9(8)14)11(18)16-12-7(10(15)17)4-5-19-12/h1-5H,(H2,15,17)(H,16,18)
InChIKeyHHZQIAXGLBWXCT-UHFFFAOYSA-N
XLogP3.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 40820884
2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide
CID 61377118
N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide
CID 114917686
2,3-dichlorobenzamide;hydron
CID 69226563
2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide
CID 81003369
2-[(2,3-dichlorobenzoyl)amino]propanediamide
CID 25465611
2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide
CID 43470594
2,3-dichloro-N-phenylbenzamide
CID 7732866
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[(2,2,2-trichloroacetyl)carbamoylamino]thiophene-3-carboxamide
CID 59715453
2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide
CID 79721900
2-(4-chlorobutanoylamino)thiophene-3-carboxamide
CID 63309353

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide (CID 2117879) is 2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is HHZQIAXGLBWXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2S/c13-8-3-1-2-6(9(8)14)11(18)16-12-7(10(15)17)4-5-19-12/h1-5H,(H2,15,17)(H,16,18).
What are the key properties of 2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide?
2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 315.18 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 2117879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).