2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide

C13H10ClN3O5S — CID 3674249

IUPAC2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H10ClN3O5S/c14-9-5-7(17(20)21)1-2-10(9)22-6-11(18)16-13-8(12(15)19)3-4-23-13/h1-5H,6H2,(H2,15,19)(H,16,18)
InChIKeyFJFRMENXWJUDEU-UHFFFAOYSA-N
MW355.76 g/mol
LogP2.43
Rot. Bonds6

About 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide

2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide (PubChem CID 3674249) has the molecular formula C13H10ClN3O5S and a molecular weight of 355.76 g/mol. Its IUPAC name is 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide
PubChem CID3674249
Molecular FormulaC13H10ClN3O5S
Molecular Weight355.76 g/mol
Exact Mass355.00
IUPAC Name2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H10ClN3O5S/c14-9-5-7(17(20)21)1-2-10(9)22-6-11(18)16-13-8(12(15)19)3-4-23-13/h1-5H,6H2,(H2,15,19)(H,16,18)
InChIKeyFJFRMENXWJUDEU-UHFFFAOYSA-N
XLogP2.43
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide
CID 1246796
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-chloro-4-nitrophenoxy)-N-(5-chloro-2-nitrophenyl)acetamide
CID 7865806
2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide
CID 35942555
N-(3-cyanothiophen-2-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 27271462
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285
N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513244
2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
CID 3314376
2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 7865843
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513315
N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 8587959

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide (CID 3674249) is 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is FJFRMENXWJUDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O5S/c14-9-5-7(17(20)21)1-2-10(9)22-6-11(18)16-13-8(12(15)19)3-4-23-13/h1-5H,6H2,(H2,15,19)(H,16,18).
What are the key properties of 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 355.76 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 3674249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).