4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide

C14H11Cl2N3OS — CID 82812379

IUPAC4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
SMILESCc1sc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c(C#N)c1C
InChIInChI=1S/C14H11Cl2N3OS/c1-6-7(2)21-14(9(6)5-17)19-13(20)8-3-10(15)12(18)11(16)4-8/h3-4H,18H2,1-2H3,(H,19,20)
InChIKeyXENPYTROJQSVTA-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.38
Rot. Bonds2

About 4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide

4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide (PubChem CID 82812379) has the molecular formula C14H11Cl2N3OS and a molecular weight of 340.24 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
PubChem CID82812379
Molecular FormulaC14H11Cl2N3OS
Molecular Weight340.24 g/mol
Exact Mass339.00
IUPAC Name4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
SMILESCc1sc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c(C#N)c1C
InChIInChI=1S/C14H11Cl2N3OS/c1-6-7(2)21-14(9(6)5-17)19-13(20)8-3-10(15)12(18)11(16)4-8/h3-4H,18H2,1-2H3,(H,19,20)
InChIKeyXENPYTROJQSVTA-UHFFFAOYSA-N
XLogP4.38
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide
CID 969407
3-amino-4-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 61112822
2-chloro-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]benzamide
CID 34589296
5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide
CID 18089620
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892
4-(bromomethyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 102850904
2,4-dichloro-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]benzamide
CID 34589319
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide
CID 43981375
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide
CID 2970676
4,5-dibromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide
CID 22830462
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797926
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-nitrobenzamide
CID 4179547

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide (CID 82812379) is 4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide is Cc1sc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c(C#N)c1C.
What is the InChIKey of 4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide?
The InChIKey is XENPYTROJQSVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3OS/c1-6-7(2)21-14(9(6)5-17)19-13(20)8-3-10(15)12(18)11(16)4-8/h3-4H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide?
4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide has a molecular weight of 340.24 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide is sourced from PubChem (CID 82812379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).