2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide

C14H15N3O3S — CID 115677734

IUPAC2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
SMILESCC(Cc1ccsc1)NC(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C14H15N3O3S/c1-9(7-10-5-6-21-8-10)16-14(18)11-3-2-4-12(13(11)15)17(19)20/h2-6,8-9H,7,15H2,1H3,(H,16,18)
InChIKeyGNRYURHPMPXUNJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.60
Rot. Bonds5

About 2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide

2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide (PubChem CID 115677734) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
PubChem CID115677734
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
SMILESCC(Cc1ccsc1)NC(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C14H15N3O3S/c1-9(7-10-5-6-21-8-10)16-14(18)11-3-2-4-12(13(11)15)17(19)20/h2-6,8-9H,7,15H2,1H3,(H,16,18)
InChIKeyGNRYURHPMPXUNJ-UHFFFAOYSA-N
XLogP2.60
TPSA98.26 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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
2-amino-N-(3-ethylpentan-2-yl)-3-nitrobenzamide
CID 115679021
2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62509065
2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471843
2-chloro-6-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 63540556
N-[(2R)-1-aminopropan-2-yl]-2-methyl-3-nitrobenzamide
CID 98540266
2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120827594
2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 71914701
3-amino-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 54952813
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923012
2-methyl-3-nitro-N-[(2S)-pentan-2-yl]benzamide
CID 879627
3-nitro-4-(1-thiophen-3-ylpropan-2-ylamino)benzamide
CID 61221657

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The IUPAC name of 2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide (CID 115677734) is 2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The canonical SMILES for 2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide is CC(Cc1ccsc1)NC(=O)c1cccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The InChIKey is GNRYURHPMPXUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9(7-10-5-6-21-8-10)16-14(18)11-3-2-4-12(13(11)15)17(19)20/h2-6,8-9H,7,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide has a molecular weight of 305.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide is sourced from PubChem (CID 115677734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).