N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide

C16H25NO2S — CID 103899419

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)NCC(C)(C)CCCO)c1
InChIInChI=1S/C16H25NO2S/c1-16(2,8-5-9-18)12-17-15(19)14-7-4-6-13(10-14)11-20-3/h4,6-7,10,18H,5,8-9,11-12H2,1-3H3,(H,17,19)
InChIKeyAXQSLUXXHZNQBC-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.08
Rot. Bonds8

About N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide

N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide (PubChem CID 103899419) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide
PubChem CID103899419
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)NCC(C)(C)CCCO)c1
InChIInChI=1S/C16H25NO2S/c1-16(2,8-5-9-18)12-17-15(19)14-7-4-6-13(10-14)11-20-3/h4,6-7,10,18H,5,8-9,11-12H2,1-3H3,(H,17,19)
InChIKeyAXQSLUXXHZNQBC-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide
CID 103712720
N-(2,2-difluoro-3-hydroxypropyl)-3-(methylsulfanylmethyl)benzamide
CID 104858070
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
N-(3-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 65031487
N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide
CID 103899541
3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899582
N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide
CID 103899612
N-(5-hydroxy-2,2-dimethylpentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 103899434
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
3-(methylsulfanylmethyl)-N-prop-2-enylbenzamide
CID 60667719
2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899330
N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide
CID 114149573

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide (CID 103899419) is N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide is CSCc1cccc(C(=O)NCC(C)(C)CCCO)c1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide?
The InChIKey is AXQSLUXXHZNQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-16(2,8-5-9-18)12-17-15(19)14-7-4-6-13(10-14)11-20-3/h4,6-7,10,18H,5,8-9,11-12H2,1-3H3,(H,17,19).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide?
N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide has a molecular weight of 295.45 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 103899419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).