N-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide

C14H15N3O3S — CID 78969745

IUPACN-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide
SMILESCNC(=O)c1ccc(NCCc2cccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3S/c1-15-14(18)10-4-5-12(13(9-10)17(19)20)16-7-6-11-3-2-8-21-11/h2-5,8-9,16H,6-7H2,1H3,(H,15,18)
InChIKeySRHBKLHTBSUJLC-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.67
Rot. Bonds6

About N-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide

N-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide (PubChem CID 78969745) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide.

Molecular Properties

Compound NameN-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide
PubChem CID78969745
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide
SMILESCNC(=O)c1ccc(NCCc2cccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3S/c1-15-14(18)10-4-5-12(13(9-10)17(19)20)16-7-6-11-3-2-8-21-11/h2-5,8-9,16H,6-7H2,1H3,(H,15,18)
InChIKeySRHBKLHTBSUJLC-UHFFFAOYSA-N
XLogP2.67
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
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

3-nitro-4-(2-thiophen-2-ylethylamino)benzonitrile
CID 39772802
N-ethyl-3-nitro-4-(thiophen-2-ylmethylamino)benzamide
CID 82993126
4-[2-(5-bromofuran-2-yl)ethylamino]-N-methyl-3-nitrobenzamide
CID 133375131
N-methyl-4-(3-methylbutylamino)-3-nitrobenzamide
CID 47370288
4-fluoro-5-methyl-2-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 103591460
N-methyl-3-nitro-4-(3,3,3-trifluoropropylamino)benzamide
CID 79034012
4-(6-hydroxyhexylamino)-N-methyl-3-nitrobenzamide
CID 103918157
4-(benzylamino)-N-methyl-3-nitrobenzamide
CID 78906795
4-[2-[ethyl(methyl)amino]ethylamino]-N-methyl-3-nitrobenzamide
CID 47446312
4-[3-(2-hydroxyethoxy)propylamino]-N-methyl-3-nitrobenzamide
CID 103990481
4-(2,3-dimethylbutylamino)-N-methyl-3-nitrobenzamide
CID 78998693
4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 24515082

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide?
The IUPAC name of N-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide (CID 78969745) is N-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide.
What is the SMILES notation for N-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide?
The canonical SMILES for N-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide is CNC(=O)c1ccc(NCCc2cccs2)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide?
The InChIKey is SRHBKLHTBSUJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-15-14(18)10-4-5-12(13(9-10)17(19)20)16-7-6-11-3-2-8-21-11/h2-5,8-9,16H,6-7H2,1H3,(H,15,18).
What are the key properties of N-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide?
N-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide has a molecular weight of 305.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide is sourced from PubChem (CID 78969745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).