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

C14H13N3O4S — CID 71718555

IUPAC5-ethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide
SMILESCCc1cc(C(N)=O)c(NC(=O)c2cccc([N+](=O)[O-])c2)s1
InChIInChI=1S/C14H13N3O4S/c1-2-10-7-11(12(15)18)14(22-10)16-13(19)8-4-3-5-9(6-8)17(20)21/h3-7H,2H2,1H3,(H2,15,18)(H,16,19)
InChIKeyYUZQTYRVSPIBEN-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.57
Rot. Bonds5

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

5-ethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide (PubChem CID 71718555) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is 5-ethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide
PubChem CID71718555
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name5-ethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide
SMILESCCc1cc(C(N)=O)c(NC(=O)c2cccc([N+](=O)[O-])c2)s1
InChIInChI=1S/C14H13N3O4S/c1-2-10-7-11(12(15)18)14(22-10)16-13(19)8-4-3-5-9(6-8)17(20)21/h3-7H,2H2,1H3,(H2,15,18)(H,16,19)
InChIKeyYUZQTYRVSPIBEN-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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Related Compounds

6-Methyl-2-(3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2853935
N-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 2928882
6-Methyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2852188
tetrahydrobenzothiophene (THBT), 21
CID 4398380
tetrahydrobenzothiophene (THBT), 22
CID 5214710
2-(Carbamoylamino)-5-[2-(3-acetamidophenyl)ethynyl]thiophene-3-carboxamide
CID 25138003
tetrahydrobenzothiophene (THBT), 23
CID 45484341
N-(4-methyl-3-nitrophenyl)-2-thienylcarboxamide
CID 839302
N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide
CID 1245285
4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide
CID 2971457
2-({3-Nitro-4-methylbenzoyl}amino)-5-methyl-4-phenylthiophene-3-carboxamide
CID 1014820
4-(4-Tert-butylphenyl)-2-({3-nitrobenzoyl}amino)-5-methylthiophene-3-carboxamide
CID 1225264

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-ethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide (CID 71718555) is 5-ethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-ethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-ethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide is CCc1cc(C(N)=O)c(NC(=O)c2cccc([N+](=O)[O-])c2)s1.
What is the InChIKey of 5-ethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is YUZQTYRVSPIBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-2-10-7-11(12(15)18)14(22-10)16-13(19)8-4-3-5-9(6-8)17(20)21/h3-7H,2H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 5-ethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide?
5-ethyl-2-[(3-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-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 71718555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).