N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide

C12H17ClN2O2S — CID 66104647

IUPACN-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
SMILESCC(CO)CSCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C12H17ClN2O2S/c1-8(5-16)6-18-7-12(17)15-11-3-2-9(13)4-10(11)14/h2-4,8,16H,5-7,14H2,1H3,(H,15,17)
InChIKeyFTNZCIUSRCGPMY-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.22
Rot. Bonds6

About N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide

N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide (PubChem CID 66104647) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
PubChem CID66104647
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
SMILESCC(CO)CSCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C12H17ClN2O2S/c1-8(5-16)6-18-7-12(17)15-11-3-2-9(13)4-10(11)14/h2-4,8,16H,5-7,14H2,1H3,(H,15,17)
InChIKeyFTNZCIUSRCGPMY-UHFFFAOYSA-N
XLogP2.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 111542477
N-(4-chloro-2-fluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66103783
N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66103984
N-(2-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
CID 107749008
N-(2-amino-4-methylphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79681828
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 66103390
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 111542622
(2S)-2-amino-3-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 93031211
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79682314
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide (CID 66104647) is N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide is CC(CO)CSCC(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The InChIKey is FTNZCIUSRCGPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-8(5-16)6-18-7-12(17)15-11-3-2-9(13)4-10(11)14/h2-4,8,16H,5-7,14H2,1H3,(H,15,17).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide has a molecular weight of 288.80 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide is sourced from PubChem (CID 66104647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).