2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide

C14H15N3O3S — CID 115286471

IUPAC2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)C(N)c1cccs1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3S/c1-9(10-4-2-5-11(8-10)17(19)20)16-14(18)13(15)12-6-3-7-21-12/h2-9,13H,15H2,1H3,(H,16,18)
InChIKeyHLMIBVMHUWWCAV-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.53
Rot. Bonds5

About 2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide

2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 115286471) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID115286471
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)C(N)c1cccs1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3S/c1-9(10-4-2-5-11(8-10)17(19)20)16-14(18)13(15)12-6-3-7-21-12/h2-9,13H,15H2,1H3,(H,16,18)
InChIKeyHLMIBVMHUWWCAV-UHFFFAOYSA-N
XLogP2.53
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.53
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

(2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride
CID 119287279
(2S)-2-amino-N-[1-(3-nitrophenyl)ethyl]butanamide;hydrochloride
CID 119287283
3-amino-4-[1-(3-nitrophenyl)ethylamino]-4-oxobutanoic acid
CID 64895714
3-amino-2-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 55104277
2-amino-3-methyl-N-[1-(3-nitrophenyl)ethyl]pentanamide
CID 60927746
(3-nitrophenyl)-thiophen-2-ylmethanamine
CID 22215325
3-nitro-N-[1-oxo-1-(1-thiophen-2-ylethylamino)propan-2-yl]benzamide
CID 112766153
1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65465737
3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 54862606
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide
CID 115286632
5-bromo-N-[1-(3-nitrophenyl)ethyl]thiophene-3-carboxamide
CID 47267855
N-[1-(3-nitrophenyl)ethyl]-3-oxobutanamide
CID 54867131

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide (CID 115286471) is 2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide is CC(NC(=O)C(N)c1cccs1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is HLMIBVMHUWWCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9(10-4-2-5-11(8-10)17(19)20)16-14(18)13(15)12-6-3-7-21-12/h2-9,13H,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide?
2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 305.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).