N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide

C14H14N2O3S — CID 18117285

IUPACN,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1c(C(=O)N(C)Cc2ccsc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O3S/c1-10-12(4-3-5-13(10)16(18)19)14(17)15(2)8-11-6-7-20-9-11/h3-7,9H,8H2,1-2H3
InChIKeyJXJHIWIIZFVXSU-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.24
Rot. Bonds4

About N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide

N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 18117285) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
PubChem CID18117285
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1c(C(=O)N(C)Cc2ccsc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O3S/c1-10-12(4-3-5-13(10)16(18)19)14(17)15(2)8-11-6-7-20-9-11/h3-7,9H,8H2,1-2H3
InChIKeyJXJHIWIIZFVXSU-UHFFFAOYSA-N
XLogP3.24
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.24
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-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 103799855
2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 115937127
N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-nitrobenzamide
CID 27822984
5-amino-4-fluoro-N-methyl-2-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 62155138
N-(2-bromoethyl)-N,2-dimethyl-3-nitrobenzamide
CID 80659716
2-chloro-N-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 43396643
N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 27889649
N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-nitrobenzamide
CID 64510814
3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 113386383
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-3-nitrobenzamide
CID 42548875
1-[3-[[methyl-(2-methyl-3-nitrobenzoyl)amino]methyl]phenyl]piperidine-4-carboxylic acid
CID 110495412
4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 18117315

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide (CID 18117285) is N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide is Cc1c(C(=O)N(C)Cc2ccsc2)cccc1[N+](=O)[O-].
What is the InChIKey of N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is JXJHIWIIZFVXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-10-12(4-3-5-13(10)16(18)19)14(17)15(2)8-11-6-7-20-9-11/h3-7,9H,8H2,1-2H3.
What are the key properties of N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 290.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 18117285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).