3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide

C16H24ClNO2S — CID 111975796

IUPAC3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide
SMILESCSCC(C)(O)CNC(=O)C(C)(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO2S/c1-15(2,9-12-6-5-7-13(17)8-12)14(19)18-10-16(3,20)11-21-4/h5-8,20H,9-11H2,1-4H3,(H,18,19)
InChIKeyNBXRGXRCBAAKPQ-UHFFFAOYSA-N
MW329.89 g/mol
LogP3.14
Rot. Bonds7

About 3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide

3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide (PubChem CID 111975796) has the molecular formula C16H24ClNO2S and a molecular weight of 329.89 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide
PubChem CID111975796
Molecular FormulaC16H24ClNO2S
Molecular Weight329.89 g/mol
Exact Mass329.12
IUPAC Name3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide
SMILESCSCC(C)(O)CNC(=O)C(C)(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO2S/c1-15(2,9-12-6-5-7-13(17)8-12)14(19)18-10-16(3,20)11-21-4/h5-8,20H,9-11H2,1-4H3,(H,18,19)
InChIKeyNBXRGXRCBAAKPQ-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.89
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 111437026
1-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]methanesulfonamide
CID 95984177
3-[[3-(3-chlorophenyl)-2,2-dimethylpropanoyl]amino]butanoic acid
CID 119347933
N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119547992
5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 113245885
4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113239570
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide
CID 95984213
3-(3-chlorophenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2,2-dimethylpropanamide
CID 97028633
2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide
CID 119339868
2-(3-chlorophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178729
1-(3-chlorophenyl)-2-methylhex-5-en-2-ol
CID 104656378
3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
CID 120888763

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide (CID 111975796) is 3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide is CSCC(C)(O)CNC(=O)C(C)(C)Cc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide?
The InChIKey is NBXRGXRCBAAKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2S/c1-15(2,9-12-6-5-7-13(17)8-12)14(19)18-10-16(3,20)11-21-4/h5-8,20H,9-11H2,1-4H3,(H,18,19).
What are the key properties of 3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide?
3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide has a molecular weight of 329.89 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 111975796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).