2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide

C15H17NO3S — CID 114344434

IUPAC2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
SMILESCc1ccc(CC(C)NC(=O)c2cccc(O)c2O)s1
InChIInChI=1S/C15H17NO3S/c1-9(8-11-7-6-10(2)20-11)16-15(19)12-4-3-5-13(17)14(12)18/h3-7,9,17-18H,8H2,1-2H3,(H,16,19)
InChIKeyJBFIWYKWYIYFGT-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.83
Rot. Bonds4

About 2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide

2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide (PubChem CID 114344434) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
PubChem CID114344434
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
SMILESCc1ccc(CC(C)NC(=O)c2cccc(O)c2O)s1
InChIInChI=1S/C15H17NO3S/c1-9(8-11-7-6-10(2)20-11)16-15(19)12-4-3-5-13(17)14(12)18/h3-7,9,17-18H,8H2,1-2H3,(H,16,19)
InChIKeyJBFIWYKWYIYFGT-UHFFFAOYSA-N
XLogP2.83
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.83
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

2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 103941360
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 65311265
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide
CID 107030799
3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796744
4-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796726
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
CID 119330928
N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide
CID 78997668
(2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79012678
3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide
CID 105388398
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79813438
2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide
CID 115546311

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
The IUPAC name of 2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide (CID 114344434) is 2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide is Cc1ccc(CC(C)NC(=O)c2cccc(O)c2O)s1.
What is the InChIKey of 2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
The InChIKey is JBFIWYKWYIYFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-9(8-11-7-6-10(2)20-11)16-15(19)12-4-3-5-13(17)14(12)18/h3-7,9,17-18H,8H2,1-2H3,(H,16,19).
What are the key properties of 2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide has a molecular weight of 291.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 114344434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).