3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide

C14H15NO3S — CID 103956007

IUPAC3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccs1)NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H15NO3S/c1-9(7-11-3-2-6-19-11)15-14(18)10-4-5-12(16)13(17)8-10/h2-6,8-9,16-17H,7H2,1H3,(H,15,18)
InChIKeyJCGNRFWLYDXXAP-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.52
Rot. Bonds4

About 3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide

3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 103956007) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID103956007
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccs1)NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H15NO3S/c1-9(7-11-3-2-6-19-11)15-14(18)10-4-5-12(16)13(17)8-10/h2-6,8-9,16-17H,7H2,1H3,(H,15,18)
InChIKeyJCGNRFWLYDXXAP-UHFFFAOYSA-N
XLogP2.52
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 18711929
3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79467456
4-fluoro-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63212844
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910
3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 60722842
4-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 43705091
N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 95573285
2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103752713
2-[3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)anilino]acetic acid
CID 46991021
2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349627
4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 112726741

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide (CID 103956007) is 3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide is CC(Cc1cccs1)NC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is JCGNRFWLYDXXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-9(7-11-3-2-6-19-11)15-14(18)10-4-5-12(16)13(17)8-10/h2-6,8-9,16-17H,7H2,1H3,(H,15,18).
What are the key properties of 3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 277.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 103956007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).