N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide

C11H15ClN2O2S — CID 43617429

IUPACN-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide
SMILESCC(SCCO)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C11H15ClN2O2S/c1-7(17-5-4-15)11(16)14-8-2-3-9(12)10(13)6-8/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16)
InChIKeyMTGRMRRRGRVOKZ-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.97
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide

N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide (PubChem CID 43617429) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide
PubChem CID43617429
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide
SMILESCC(SCCO)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C11H15ClN2O2S/c1-7(17-5-4-15)11(16)14-8-2-3-9(12)10(13)6-8/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16)
InChIKeyMTGRMRRRGRVOKZ-UHFFFAOYSA-N
XLogP1.97
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.97
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-(3-amino-4-chlorophenyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide
CID 66139195
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617506
N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125053
N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879345
2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide
CID 42912749
N-(3-amino-4-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 43617463
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224820
N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985453
N-(3-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373800
N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide
CID 66114719
N-(3-amino-4-chlorophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268721

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide (CID 43617429) is N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide is CC(SCCO)C(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide?
The InChIKey is MTGRMRRRGRVOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-7(17-5-4-15)11(16)14-8-2-3-9(12)10(13)6-8/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide?
N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide has a molecular weight of 274.77 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide is sourced from PubChem (CID 43617429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).