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

C12H17ClN2O2S — CID 66114719

IUPACN-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide
SMILESCC(SCCCO)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2O2S/c1-8(18-6-2-5-16)12(17)15-11-4-3-9(14)7-10(11)13/h3-4,7-8,16H,2,5-6,14H2,1H3,(H,15,17)
InChIKeyNTZBLCIYNCHJJB-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.36
Rot. Bonds6

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

N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide (PubChem CID 66114719) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide
PubChem CID66114719
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide
SMILESCC(SCCCO)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2O2S/c1-8(18-6-2-5-16)12(17)15-11-4-3-9(14)7-10(11)13/h3-4,7-8,16H,2,5-6,14H2,1H3,(H,15,17)
InChIKeyNTZBLCIYNCHJJB-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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

ethyl 2-[1-(4-amino-2-chloroanilino)-1-oxopropan-2-yl]sulfanylacetate
CID 43618307
2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide
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N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114723
N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide
CID 107748565
N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
CID 43107317
2-(4-aminobutylsulfanyl)-N-(2-chlorophenyl)propanamide
CID 82180215
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide
CID 43382496
N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
CID 43382322
N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617429
2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82181810
N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide
CID 107751449

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide (CID 66114719) is N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide is CC(SCCCO)C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide?
The InChIKey is NTZBLCIYNCHJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-8(18-6-2-5-16)12(17)15-11-4-3-9(14)7-10(11)13/h3-4,7-8,16H,2,5-6,14H2,1H3,(H,15,17).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide?
N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide has a molecular weight of 288.80 g/mol, XLogP of 2.36, 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)-2-(3-hydroxypropylsulfanyl)propanamide is sourced from PubChem (CID 66114719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).