2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide

C14H15N3O3S — CID 115936726

IUPAC2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide
SMILESCNc1c(C(=O)NC(C)c2ccsc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O3S/c1-9(10-6-7-21-8-10)16-14(18)11-4-3-5-12(17(19)20)13(11)15-2/h3-9,15H,1-2H3,(H,16,18)
InChIKeySFKQTTCOSRZBJX-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.19
Rot. Bonds5

About 2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide

2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide (PubChem CID 115936726) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide
PubChem CID115936726
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide
SMILESCNc1c(C(=O)NC(C)c2ccsc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O3S/c1-9(10-6-7-21-8-10)16-14(18)11-4-3-5-12(17(19)20)13(11)15-2/h3-9,15H,1-2H3,(H,16,18)
InChIKeySFKQTTCOSRZBJX-UHFFFAOYSA-N
XLogP3.19
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.19
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-amino-2-nitro-N-(1-thiophen-3-ylethyl)benzamide
CID 115548964
3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide
CID 115549594
2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 62842689
N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide
CID 112580635
2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 112580537
2-(methylamino)-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 115936633
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-nitrobenzamide
CID 800221
2-(ethylamino)-N-(1-thiophen-3-ylethyl)benzamide
CID 55127001
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-nitrobenzamide
CID 90496477
2-(methylamino)-N-(4-methyloxan-4-yl)-3-nitrobenzamide
CID 104773319
2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 115677734
N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 64590791

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide (CID 115936726) is 2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide is CNc1c(C(=O)NC(C)c2ccsc2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide?
The InChIKey is SFKQTTCOSRZBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9(10-6-7-21-8-10)16-14(18)11-4-3-5-12(17(19)20)13(11)15-2/h3-9,15H,1-2H3,(H,16,18).
What are the key properties of 2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide?
2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide has a molecular weight of 305.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 115936726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).