N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide

C15H25NO2S — CID 71972444

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide
SMILESCC(O)CC(C)(C)CNC(=O)C(C)(C)c1cccs1
InChIInChI=1S/C15H25NO2S/c1-11(17)9-14(2,3)10-16-13(18)15(4,5)12-7-6-8-19-12/h6-8,11,17H,9-10H2,1-5H3,(H,16,18)
InChIKeyVXEIFQNQPFYWDH-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.94
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide

N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide (PubChem CID 71972444) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide
PubChem CID71972444
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide
SMILESCC(O)CC(C)(C)CNC(=O)C(C)(C)c1cccs1
InChIInChI=1S/C15H25NO2S/c1-11(17)9-14(2,3)10-16-13(18)15(4,5)12-7-6-8-19-12/h6-8,11,17H,9-10H2,1-5H3,(H,16,18)
InChIKeyVXEIFQNQPFYWDH-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]propanoic acid
CID 119249396
N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 111485911
N-(2-amino-2-ethylbutyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 119642853
N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 111825074
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropanamide
CID 119526791
7-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]heptanoic acid
CID 119227273
5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid
CID 119234391
N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 110698390
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-(4-hydroxy-2,2-dimethylpentyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 111507523
N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 111480449
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 111480419

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide (CID 71972444) is N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide is CC(O)CC(C)(C)CNC(=O)C(C)(C)c1cccs1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide?
The InChIKey is VXEIFQNQPFYWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-11(17)9-14(2,3)10-16-13(18)15(4,5)12-7-6-8-19-12/h6-8,11,17H,9-10H2,1-5H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide?
N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide has a molecular weight of 283.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 71972444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).