N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C14H15N3O4S — CID 8649361

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccsc1CN(C)C(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4S/c1-10-5-7-22-12(10)8-16(2)13(18)9-21-11-4-3-6-15-14(11)17(19)20/h3-7H,8-9H2,1-2H3
InChIKeyZEQBEHQDCDZIMU-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.40
Rot. Bonds6

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 8649361) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID8649361
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccsc1CN(C)C(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4S/c1-10-5-7-22-12(10)8-16(2)13(18)9-21-11-4-3-6-15-14(11)17(19)20/h3-7H,8-9H2,1-2H3
InChIKeyZEQBEHQDCDZIMU-UHFFFAOYSA-N
XLogP2.40
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
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-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 9017979
N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide
CID 8649325
N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 29347080
2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide
CID 52890111
2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 134031406
N-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 50956151
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 29312739
4-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitrobenzamide
CID 9020526
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 8649361) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide is Cc1ccsc1CN(C)C(=O)COc1cccnc1[N+](=O)[O-].
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is ZEQBEHQDCDZIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-10-5-7-22-12(10)8-16(2)13(18)9-21-11-4-3-6-15-14(11)17(19)20/h3-7H,8-9H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 321.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 8649361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).