3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide

C15H16N2O4S — CID 71975319

IUPAC3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
SMILESCC(Cc1ccsc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C15H16N2O4S/c1-10(7-11-5-6-22-9-11)16(2)15(19)12-3-4-13(17(20)21)14(18)8-12/h3-6,8-10,18H,7H2,1-2H3
InChIKeyWTBIFXKGQTYHBM-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.07
Rot. Bonds5

About 3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide

3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide (PubChem CID 71975319) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
PubChem CID71975319
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
SMILESCC(Cc1ccsc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C15H16N2O4S/c1-10(7-11-5-6-22-9-11)16(2)15(19)12-3-4-13(17(20)21)14(18)8-12/h3-6,8-10,18H,7H2,1-2H3
InChIKeyWTBIFXKGQTYHBM-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-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 71914701
3-hydroxy-N-methyl-4-nitro-N-propylbenzamide
CID 113228241
5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 129414965
5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid
CID 154751955
N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
CID 102741640
3-fluoro-N-methyl-N-(4-methylpentan-2-yl)-4-nitrobenzamide
CID 62681818
3-[methyl(thiophen-3-ylmethyl)amino]-4-nitrobenzoic acid
CID 82783947
3-hydroxy-N-methyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 18114264
3-hydroxy-4-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 102741649
4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 91647846
3-nitro-4-(1-thiophen-3-ylpropan-2-ylamino)benzamide
CID 61221657
3,4-dihydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 103956182

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The IUPAC name of 3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide (CID 71975319) is 3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide is CC(Cc1ccsc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of 3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The InChIKey is WTBIFXKGQTYHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-10(7-11-5-6-22-9-11)16(2)15(19)12-3-4-13(17(20)21)14(18)8-12/h3-6,8-10,18H,7H2,1-2H3.
What are the key properties of 3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
3-hydroxy-N-methyl-4-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 3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide is sourced from PubChem (CID 71975319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).