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

C13H19ClN2O2S — CID 66103984

IUPACN-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
SMILESCC(CO)CSC(C)C(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O2S/c1-8(6-17)7-19-9(2)13(18)16-12-4-3-10(14)5-11(12)15/h3-5,8-9,17H,6-7,15H2,1-2H3,(H,16,18)
InChIKeyFWDFCSSGYFYPLV-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.61
Rot. Bonds6

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

N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide (PubChem CID 66103984) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
PubChem CID66103984
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
SMILESCC(CO)CSC(C)C(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O2S/c1-8(6-17)7-19-9(2)13(18)16-12-4-3-10(14)5-11(12)15/h3-5,8-9,17H,6-7,15H2,1-2H3,(H,16,18)
InChIKeyFWDFCSSGYFYPLV-UHFFFAOYSA-N
XLogP2.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.61
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

(2S)-N-(5-chloro-2-fluorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide
CID 95968650
N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66105977
N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66104647
N-(2,4-difluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 111463782
N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66104221
N-(2-amino-4-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)propanamide
CID 79683036
N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
CID 55315484
N-[1-(4-chlorophenyl)ethyl]-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 111542629
N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide
CID 107748924
N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide
CID 43188508
(2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide
CID 96566270
N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide
CID 107749184

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide (CID 66103984) is N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide is CC(CO)CSC(C)C(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide?
The InChIKey is FWDFCSSGYFYPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-8(6-17)7-19-9(2)13(18)16-12-4-3-10(14)5-11(12)15/h3-5,8-9,17H,6-7,15H2,1-2H3,(H,16,18).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide?
N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide has a molecular weight of 302.83 g/mol, XLogP of 2.61, 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)sulfanylpropanamide is sourced from PubChem (CID 66103984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).