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

C14H15N3O3S — CID 115286632

IUPAC2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(N)c1cccs1
InChIInChI=1S/C14H15N3O3S/c1-16(14(18)13(15)12-6-3-7-21-12)9-10-4-2-5-11(8-10)17(19)20/h2-8,13H,9,15H2,1H3
InChIKeyPWXQHVZGZQRUPY-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.31
Rot. Bonds5

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

2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 115286632) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID115286632
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(N)c1cccs1
InChIInChI=1S/C14H15N3O3S/c1-16(14(18)13(15)12-6-3-7-21-12)9-10-4-2-5-11(8-10)17(19)20/h2-8,13H,9,15H2,1H3
InChIKeyPWXQHVZGZQRUPY-UHFFFAOYSA-N
XLogP2.31
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
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-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54871470
2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115286812
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54875128
2-amino-N,3-dimethyl-N-[(3-nitrophenyl)methyl]pentanamide
CID 60944611
2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 112685838
2-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115286743
2-(aminomethyl)-N-methyl-N-[(3-nitrophenyl)methyl]butanamide
CID 65227283
2-amino-N-[(4-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115286090
1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide
CID 65464041
2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
CID 63681423
2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 115286471
3-bromo-N-methyl-N-[(3-nitrophenyl)methyl]thiophene-2-carboxamide
CID 47234431

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide (CID 115286632) is 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide is CN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is PWXQHVZGZQRUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-16(14(18)13(15)12-6-3-7-21-12)9-10-4-2-5-11(8-10)17(19)20/h2-8,13H,9,15H2,1H3.
What are the key properties of 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide?
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 305.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).