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

C15H16N2O4S — CID 71914701

IUPAC2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
SMILESCC(Cc1ccsc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C15H16N2O4S/c1-10(8-11-6-7-22-9-11)16(2)15(19)12-4-3-5-13(14(12)18)17(20)21/h3-7,9-10,18H,8H2,1-2H3
InChIKeyKGBYBDOKMRSCNT-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.07
Rot. Bonds5

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

2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide (PubChem CID 71914701) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
PubChem CID71914701
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
SMILESCC(Cc1ccsc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C15H16N2O4S/c1-10(8-11-6-7-22-9-11)16(2)15(19)12-4-3-5-13(14(12)18)17(20)21/h3-7,9-10,18H,8H2,1-2H3
InChIKeyKGBYBDOKMRSCNT-UHFFFAOYSA-N
XLogP3.07
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
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

2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 103799855
3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 71975319
N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 18117285
2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 115677734
N-(1-hydroxypropan-2-yl)-N,2-dimethyl-3-nitrobenzamide
CID 112704636
2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 115937127
5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid
CID 154751955
2-hydroxy-N-methyl-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 103746406
N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide
CID 103820481
2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 115678617
ethyl 2-[(2-hydroxy-3-nitrobenzoyl)-methylamino]acetate
CID 103746415
2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 103800351

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide (CID 71914701) is 2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide is CC(Cc1ccsc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The InChIKey is KGBYBDOKMRSCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-10(8-11-6-7-22-9-11)16(2)15(19)12-4-3-5-13(14(12)18)17(20)21/h3-7,9-10,18H,8H2,1-2H3.
What are the key properties of 2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide has a molecular weight of 320.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide is sourced from PubChem (CID 71914701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).