N-(3-methylthiophen-2-yl)-3-nitrobenzamide

C12H10N2O3S — CID 19689915

IUPACN-(3-methylthiophen-2-yl)-3-nitrobenzamide
SMILESCc1ccsc1NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O3S/c1-8-5-6-18-12(8)13-11(15)9-3-2-4-10(7-9)14(16)17/h2-7H,1H3,(H,13,15)
InChIKeyCFEAMAWZGYPDHU-UHFFFAOYSA-N
MW262.29 g/mol
LogP3.22
Rot. Bonds3

About N-(3-methylthiophen-2-yl)-3-nitrobenzamide

N-(3-methylthiophen-2-yl)-3-nitrobenzamide (PubChem CID 19689915) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(3-methylthiophen-2-yl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-methylthiophen-2-yl)-3-nitrobenzamide
PubChem CID19689915
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC NameN-(3-methylthiophen-2-yl)-3-nitrobenzamide
SMILESCc1ccsc1NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O3S/c1-8-5-6-18-12(8)13-11(15)9-3-2-4-10(7-9)14(16)17/h2-7H,1H3,(H,13,15)
InChIKeyCFEAMAWZGYPDHU-UHFFFAOYSA-N
XLogP3.22
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
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

N-(3-methylthiophen-2-yl)-4-nitrobenzamide
CID 19689921
N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide
CID 7520874
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-nitrobenzamide
CID 90496756
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-nitrobenzamide
CID 4179547
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(1-hydroxypropan-2-yl)-3-nitrobenzamide
CID 18712222
N-(2-methyl-1-thiophen-2-ylpropyl)-3-nitrobenzamide
CID 46691946
N-(2,6-diethylphenyl)-3-nitrobenzamide
CID 731505
N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 872142

Frequently Asked Questions

What is the IUPAC name of N-(3-methylthiophen-2-yl)-3-nitrobenzamide?
The IUPAC name of N-(3-methylthiophen-2-yl)-3-nitrobenzamide (CID 19689915) is N-(3-methylthiophen-2-yl)-3-nitrobenzamide.
What is the SMILES notation for N-(3-methylthiophen-2-yl)-3-nitrobenzamide?
The canonical SMILES for N-(3-methylthiophen-2-yl)-3-nitrobenzamide is Cc1ccsc1NC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-methylthiophen-2-yl)-3-nitrobenzamide?
The InChIKey is CFEAMAWZGYPDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-8-5-6-18-12(8)13-11(15)9-3-2-4-10(7-9)14(16)17/h2-7H,1H3,(H,13,15).
What are the key properties of N-(3-methylthiophen-2-yl)-3-nitrobenzamide?
N-(3-methylthiophen-2-yl)-3-nitrobenzamide has a molecular weight of 262.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylthiophen-2-yl)-3-nitrobenzamide is sourced from PubChem (CID 19689915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).