4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide

C14H22N2O2S — CID 95977014

IUPAC4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide
SMILESCSC[C@](C)(O)CNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2O2S/c1-14(18,10-19-4)9-15-13(17)11-5-7-12(8-6-11)16(2)3/h5-8,18H,9-10H2,1-4H3,(H,15,17)/t14-/m1/s1
InChIKeyNBKOWKBLBIDGRU-CQSZACIVSA-N
MW282.41 g/mol
LogP1.60
Rot. Bonds6

About 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide

4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide (PubChem CID 95977014) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide
PubChem CID95977014
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide
SMILESCSC[C@](C)(O)CNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2O2S/c1-14(18,10-19-4)9-15-13(17)11-5-7-12(8-6-11)16(2)3/h5-8,18H,9-10H2,1-4H3,(H,15,17)/t14-/m1/s1
InChIKeyNBKOWKBLBIDGRU-CQSZACIVSA-N
XLogP1.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfanylbenzamide
CID 113239555
3-amino-4-(dimethylamino)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 106242390
N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-thiophen-3-ylbenzamide
CID 100701158
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide
CID 90522939
3-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylbenzamide
CID 103720300
3-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylbenzamide
CID 111436034
4-bromo-3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 113342863
4-(dimethylamino)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90604997
3-bromo-4-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 103707610
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
N-(2-amino-2-ethylbutyl)-4-(dimethylamino)benzamide
CID 115305742
N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide
CID 106140589

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide (CID 95977014) is 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide is CSC[C@](C)(O)CNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide?
The InChIKey is NBKOWKBLBIDGRU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(18,10-19-4)9-15-13(17)11-5-7-12(8-6-11)16(2)3/h5-8,18H,9-10H2,1-4H3,(H,15,17)/t14-/m1/s1.
What are the key properties of 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide?
4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide has a molecular weight of 282.41 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide is sourced from PubChem (CID 95977014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).