N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide

C14H15ClN2O2S — CID 43125053

IUPACN-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
SMILESCC(SCc1ccco1)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H15ClN2O2S/c1-9(20-8-11-3-2-6-19-11)14(18)17-10-4-5-12(15)13(16)7-10/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyGHGJYHIJJXSMFR-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.78
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide

N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide (PubChem CID 43125053) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
PubChem CID43125053
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
SMILESCC(SCc1ccco1)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H15ClN2O2S/c1-9(20-8-11-3-2-6-19-11)14(18)17-10-4-5-12(15)13(16)7-10/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyGHGJYHIJJXSMFR-UHFFFAOYSA-N
XLogP3.78
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide
CID 23970430
N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125023
N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617429
N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43082939
N-(3-amino-4-chlorophenyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide
CID 66139195
N-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 23772372
N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 78761678
2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25045381
N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879345
N-(3-amino-4-chlorophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268721
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224820

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide (CID 43125053) is N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide is CC(SCc1ccco1)C(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The InChIKey is GHGJYHIJJXSMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9(20-8-11-3-2-6-19-11)14(18)17-10-4-5-12(15)13(16)7-10/h2-7,9H,8,16H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide has a molecular weight of 310.81 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 43125053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).