N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide

C15H23NO4S — CID 103940884

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO4S/c1-15(2,3)13(9-10-17)16-14(18)11-5-7-12(8-6-11)21(4,19)20/h5-8,13,17H,9-10H2,1-4H3,(H,16,18)
InChIKeyVDVCCWUZNDUWEH-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.62
Rot. Bonds5

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide (PubChem CID 103940884) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide
PubChem CID103940884
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO4S/c1-15(2,3)13(9-10-17)16-14(18)11-5-7-12(8-6-11)21(4,19)20/h5-8,13,17H,9-10H2,1-4H3,(H,16,18)
InChIKeyVDVCCWUZNDUWEH-UHFFFAOYSA-N
XLogP1.62
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
CID 106353051
(2R)-4-hydroxy-2-[(4-methylsulfonylbenzoyl)amino]butanoic acid
CID 107822947
3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
CID 104630338
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide
CID 106353049
N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide
CID 103722829
4-methylsulfonylbenzohydrazide
CID 11042107
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide
CID 114178197
3-amino-3-[(4-methylsulfonylbenzoyl)amino]propanoic acid
CID 67328334
N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide
CID 103941024
N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 97260201

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide (CID 103940884) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide is CC(C)(C)C(CCO)NC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide?
The InChIKey is VDVCCWUZNDUWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-15(2,3)13(9-10-17)16-14(18)11-5-7-12(8-6-11)21(4,19)20/h5-8,13,17H,9-10H2,1-4H3,(H,16,18).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide has a molecular weight of 313.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 103940884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).