2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride

C12H19ClN2OS — CID 119797995

IUPAC2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccccc1SC(C)C.Cl
InChIInChI=1S/C12H18N2OS.ClH/c1-9(2)16-11-7-5-4-6-10(11)14-12(15)8-13-3;/h4-7,9,13H,8H2,1-3H3,(H,14,15);1H
InChIKeyFDQIHHLBSGFGMT-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.77
Rot. Bonds5

About 2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride

2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride (PubChem CID 119797995) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride
PubChem CID119797995
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccccc1SC(C)C.Cl
InChIInChI=1S/C12H18N2OS.ClH/c1-9(2)16-11-7-5-4-6-10(11)14-12(15)8-13-3;/h4-7,9,13H,8H2,1-3H3,(H,14,15);1H
InChIKeyFDQIHHLBSGFGMT-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide
CID 119331778
7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide
CID 119797982
5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide
CID 71850921
3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride
CID 120501372
N-[2-(methanesulfonamido)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119704021
N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide
CID 167901485
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031
(2R)-2-[[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194221
N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide
CID 24510717
2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 75380587
2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide
CID 167804143

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride (CID 119797995) is 2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride is CNCC(=O)Nc1ccccc1SC(C)C.Cl.
What is the InChIKey of 2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride?
The InChIKey is FDQIHHLBSGFGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS.ClH/c1-9(2)16-11-7-5-4-6-10(11)14-12(15)8-13-3;/h4-7,9,13H,8H2,1-3H3,(H,14,15);1H.
What are the key properties of 2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride?
2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride has a molecular weight of 274.82 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119797995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).