N-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide

C14H15N3O3S — CID 82993038

IUPACN-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide
SMILESCNC(=O)c1ccc([N+](=O)[O-])c(NC(C)c2ccsc2)c1
InChIInChI=1S/C14H15N3O3S/c1-9(11-5-6-21-8-11)16-12-7-10(14(18)15-2)3-4-13(12)17(19)20/h3-9,16H,1-2H3,(H,15,18)
InChIKeyXSRFZYWOBMHYRJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.19
Rot. Bonds5

About N-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide

N-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide (PubChem CID 82993038) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide.

Molecular Properties

Compound NameN-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide
PubChem CID82993038
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide
SMILESCNC(=O)c1ccc([N+](=O)[O-])c(NC(C)c2ccsc2)c1
InChIInChI=1S/C14H15N3O3S/c1-9(11-5-6-21-8-11)16-12-7-10(14(18)15-2)3-4-13(12)17(19)20/h3-9,16H,1-2H3,(H,15,18)
InChIKeyXSRFZYWOBMHYRJ-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

4,5-dimethoxy-2-nitro-N-(1-thiophen-3-ylethyl)aniline
CID 83005687
4-iodo-2-nitro-N-(1-thiophen-3-ylethyl)aniline
CID 66065103
N-methyl-3-nitro-4-[1-(4-propan-2-ylsulfanylphenyl)ethylamino]benzamide
CID 133287460
N-methyl-4-nitro-3-(pent-1-yn-3-ylamino)benzamide
CID 106231377
5-nitro-2-(1-thiophen-3-ylethylamino)benzoic acid
CID 62844063
methyl 4-chloro-3-(1-thiophen-3-ylethylamino)benzoate
CID 62090505
N-methyl-4-nitro-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 82992823
2-methyl-6-nitro-N-(1-thiophen-3-ylethyl)-1,3-benzothiazol-5-amine
CID 62840866
3-[(2-amino-3-hydroxybutyl)amino]-N-methyl-4-nitrobenzamide
CID 82989015
5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one
CID 62840690
N-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]-4-nitrobenzamide
CID 82988737
3-(ethylamino)-4-nitro-N-thiophen-3-ylbenzamide
CID 66356109

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide?
The IUPAC name of N-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide (CID 82993038) is N-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide.
What is the SMILES notation for N-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide?
The canonical SMILES for N-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide is CNC(=O)c1ccc([N+](=O)[O-])c(NC(C)c2ccsc2)c1.
What is the InChIKey of N-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide?
The InChIKey is XSRFZYWOBMHYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9(11-5-6-21-8-11)16-12-7-10(14(18)15-2)3-4-13(12)17(19)20/h3-9,16H,1-2H3,(H,15,18).
What are the key properties of N-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide?
N-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)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 N-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide is sourced from PubChem (CID 82993038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).