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

C13H11N3O4S — CID 1246796

IUPAC2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11N3O4S/c14-12(18)10-5-6-21-13(10)15-11(17)7-8-1-3-9(4-2-8)16(19)20/h1-6H,7H2,(H2,14,18)(H,15,17)
InChIKeyWRPSNTKKYWGJBO-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.94
Rot. Bonds5

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

2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 1246796) has the molecular formula C13H11N3O4S and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide
PubChem CID1246796
Molecular FormulaC13H11N3O4S
Molecular Weight305.31 g/mol
Exact Mass305.05
IUPAC Name2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11N3O4S/c14-12(18)10-5-6-21-13(10)15-11(17)7-8-1-3-9(4-2-8)16(19)20/h1-6H,7H2,(H2,14,18)(H,15,17)
InChIKeyWRPSNTKKYWGJBO-UHFFFAOYSA-N
XLogP1.94
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.94
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

2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide
CID 3674249
2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 16849419
2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 3447971
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
CID 2091135
N-(3-carbamoylthiophen-2-yl)-5-nitro-1-benzothiophene-2-carboxamide
CID 7167005
2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide
CID 65350067
N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
CID 34110855
ethyl 2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 7164073
2-(4-aminobutanoylamino)thiophene-3-carboxamide
CID 61251927
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
CID 79193054
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide (CID 1246796) is 2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is WRPSNTKKYWGJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c14-12(18)10-5-6-21-13(10)15-11(17)7-8-1-3-9(4-2-8)16(19)20/h1-6H,7H2,(H2,14,18)(H,15,17).
What are the key properties of 2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 1246796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).