N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide

C13H12N2O3S — CID 27889649

IUPACN-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H12N2O3S/c1-14(8-10-6-7-19-9-10)13(16)11-2-4-12(5-3-11)15(17)18/h2-7,9H,8H2,1H3
InChIKeyVHABTOMPOXLKDY-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.93
Rot. Bonds4

About N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide

N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 27889649) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
PubChem CID27889649
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H12N2O3S/c1-14(8-10-6-7-19-9-10)13(16)11-2-4-12(5-3-11)15(17)18/h2-7,9H,8H2,1H3
InChIKeyVHABTOMPOXLKDY-UHFFFAOYSA-N
XLogP2.93
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-N-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 43396643
N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7925766
4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 18117315
4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62678324
2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 103799855
N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 18117285
4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18117382
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 9010237
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649
N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide
CID 27827757
N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
CID 18126143
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
CID 18117310

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide (CID 27889649) is N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide is CN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is VHABTOMPOXLKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-14(8-10-6-7-19-9-10)13(16)11-2-4-12(5-3-11)15(17)18/h2-7,9H,8H2,1H3.
What are the key properties of N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide?
N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 276.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 27889649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).