2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide

C13H10Cl2N2O4S — CID 3143002

IUPAC2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Cl)sc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10Cl2N2O4S/c1-2-21-7-3-4-9(10(5-7)17(19)20)16-13(18)8-6-11(14)22-12(8)15/h3-6H,2H2,1H3,(H,16,18)
InChIKeyGXDWOJVPFYNUPD-UHFFFAOYSA-N
MW361.21 g/mol
LogP4.61
Rot. Bonds5

About 2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide

2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide (PubChem CID 3143002) has the molecular formula C13H10Cl2N2O4S and a molecular weight of 361.21 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide
PubChem CID3143002
Molecular FormulaC13H10Cl2N2O4S
Molecular Weight361.21 g/mol
Exact Mass359.97
IUPAC Name2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Cl)sc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10Cl2N2O4S/c1-2-21-7-3-4-9(10(5-7)17(19)20)16-13(18)8-6-11(14)22-12(8)15/h3-6H,2H2,1H3,(H,16,18)
InChIKeyGXDWOJVPFYNUPD-UHFFFAOYSA-N
XLogP4.61
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 54.61
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

5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-methoxybenzamide
CID 2933842
2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901
3,4,5-triethoxy-N-(4-ethoxy-2-nitrophenyl)benzamide
CID 2862752
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide
CID 3375045
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
N-(4-chloro-2-nitrophenyl)-4-ethoxythiophene-3-carboxamide
CID 12680135
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
3-(4-chlorophenyl)-N-(4-ethoxy-2-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 19509397
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 46786988

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide (CID 3143002) is 2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide is CCOc1ccc(NC(=O)c2cc(Cl)sc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide?
The InChIKey is GXDWOJVPFYNUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O4S/c1-2-21-7-3-4-9(10(5-7)17(19)20)16-13(18)8-6-11(14)22-12(8)15/h3-6H,2H2,1H3,(H,16,18).
What are the key properties of 2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide?
2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide has a molecular weight of 361.21 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 3143002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).