5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide

C14H13N3O4S — CID 71720367

IUPAC5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
SMILESCCc1cc(C(N)=O)c(NC(=O)c2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C14H13N3O4S/c1-2-8-7-10(12(15)18)14(22-8)16-13(19)9-5-3-4-6-11(9)17(20)21/h3-7H,2H2,1H3,(H2,15,18)(H,16,19)
InChIKeyWXMJNZZLRMCJKH-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.57
Rot. Bonds5

About 5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide

5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide (PubChem CID 71720367) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is 5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
PubChem CID71720367
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
SMILESCCc1cc(C(N)=O)c(NC(=O)c2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C14H13N3O4S/c1-2-8-7-10(12(15)18)14(22-8)16-13(19)9-5-3-4-6-11(9)17(20)21/h3-7H,2H2,1H3,(H2,15,18)(H,16,19)
InChIKeyWXMJNZZLRMCJKH-UHFFFAOYSA-N
XLogP2.57
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide (CID 71720367) is 5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide is CCc1cc(C(N)=O)c(NC(=O)c2ccccc2[N+](=O)[O-])s1.
What is the InChIKey of 5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is WXMJNZZLRMCJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-2-8-7-10(12(15)18)14(22-8)16-13(19)9-5-3-4-6-11(9)17(20)21/h3-7H,2H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide?
5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 71720367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).