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

C11H15ClN2O2S — CID 43617467

IUPACN-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
SMILESNc1ccc(NC(=O)CCSCCO)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2S/c12-9-7-8(13)1-2-10(9)14-11(16)3-5-17-6-4-15/h1-2,7,15H,3-6,13H2,(H,14,16)
InChIKeyKQWZIHUOERYUOQ-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.98
Rot. Bonds6

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

N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide (PubChem CID 43617467) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
PubChem CID43617467
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC NameN-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
SMILESNc1ccc(NC(=O)CCSCCO)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2S/c12-9-7-8(13)1-2-10(9)14-11(16)3-5-17-6-4-15/h1-2,7,15H,3-6,13H2,(H,14,16)
InChIKeyKQWZIHUOERYUOQ-UHFFFAOYSA-N
XLogP1.98
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-3-(3-methylbutylsulfanyl)propanamide
CID 107749068
N-(4-amino-2-chlorophenyl)-3-benzylsulfanylpropanamide
CID 30053679
N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114723
N-(3-amino-4-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 43617463
N-(4-amino-2-chlorophenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide
CID 107770520
N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61245206
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(5-amino-2-methylphenyl)-3-(3-hydroxypropylsulfanyl)propanamide
CID 66114935
N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
CID 102860273
N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide
CID 43617487
N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide
CID 61287457
N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide
CID 107748600

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide (CID 43617467) is N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide is Nc1ccc(NC(=O)CCSCCO)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide?
The InChIKey is KQWZIHUOERYUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c12-9-7-8(13)1-2-10(9)14-11(16)3-5-17-6-4-15/h1-2,7,15H,3-6,13H2,(H,14,16).
What are the key properties of N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide?
N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide has a molecular weight of 274.77 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide is sourced from PubChem (CID 43617467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).