2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide

C12H8Cl2N2O4S — CID 55374643

IUPAC2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c1-20-9-3-2-6(16(18)19)4-8(9)15-12(17)7-5-10(13)21-11(7)14/h2-5H,1H3,(H,15,17)
InChIKeyDWBFKNZCNDIFSU-UHFFFAOYSA-N
MW347.18 g/mol
LogP4.22
Rot. Bonds4

About 2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide

2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide (PubChem CID 55374643) has the molecular formula C12H8Cl2N2O4S and a molecular weight of 347.18 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
PubChem CID55374643
Molecular FormulaC12H8Cl2N2O4S
Molecular Weight347.18 g/mol
Exact Mass345.96
IUPAC Name2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c1-20-9-3-2-6(16(18)19)4-8(9)15-12(17)7-5-10(13)21-11(7)14/h2-5H,1H3,(H,15,17)
InChIKeyDWBFKNZCNDIFSU-UHFFFAOYSA-N
XLogP4.22
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
CID 106685355
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624
N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
CID 60619551
N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide
CID 51160514
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
CID 844979
6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
CID 107260793
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide
CID 16797089
6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 2108909
N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide
CID 17310401
3-chloro-6-fluoro-N-(2-methoxy-5-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 16959985

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide (CID 55374643) is 2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide?
The InChIKey is DWBFKNZCNDIFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O4S/c1-20-9-3-2-6(16(18)19)4-8(9)15-12(17)7-5-10(13)21-11(7)14/h2-5H,1H3,(H,15,17).
What are the key properties of 2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide?
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide has a molecular weight of 347.18 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 55374643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).