2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide

C13H12N2O4S — CID 103799855

IUPAC2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H12N2O4S/c1-14(7-9-5-6-20-8-9)13(17)10-3-2-4-11(12(10)16)15(18)19/h2-6,8,16H,7H2,1H3
InChIKeyPBFDHGFBVAAOPC-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.63
Rot. Bonds4

About 2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide

2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 103799855) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
PubChem CID103799855
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H12N2O4S/c1-14(7-9-5-6-20-8-9)13(17)10-3-2-4-11(12(10)16)15(18)19/h2-6,8,16H,7H2,1H3
InChIKeyPBFDHGFBVAAOPC-UHFFFAOYSA-N
XLogP2.63
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.63
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

N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 18117285
2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 115937127
2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 71914701
3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 113386383
2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 103800351
5-amino-4-fluoro-N-methyl-2-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 62155138
N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide
CID 103820481
2-chloro-N-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 43396643
N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 27889649
2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 103800115
ethyl 2-[(2-hydroxy-3-nitrobenzoyl)-methylamino]acetate
CID 103746415
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62167817

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide (CID 103799855) is 2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide is CN(Cc1ccsc1)C(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is PBFDHGFBVAAOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-14(7-9-5-6-20-8-9)13(17)10-3-2-4-11(12(10)16)15(18)19/h2-6,8,16H,7H2,1H3.
What are the key properties of 2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 292.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 103799855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).