2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide

C14H15ClN2O2S — CID 79149778

IUPAC2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
SMILESCC(Sc1ccc(N)c(Cl)c1)C(=O)NCc1ccco1
InChIInChI=1S/C14H15ClN2O2S/c1-9(14(18)17-8-10-3-2-6-19-10)20-11-4-5-13(16)12(15)7-11/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyRSEATHQDLNBPQE-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.31
Rot. Bonds5

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

2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide (PubChem CID 79149778) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
PubChem CID79149778
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
SMILESCC(Sc1ccc(N)c(Cl)c1)C(=O)NCc1ccco1
InChIInChI=1S/C14H15ClN2O2S/c1-9(14(18)17-8-10-3-2-6-19-10)20-11-4-5-13(16)12(15)7-11/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyRSEATHQDLNBPQE-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 7870521
N-(furan-2-ylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 42916165
(2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 9452084
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide
CID 24550978
2-(2-amino-5-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 62304320
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 112813149
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 47051152
(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 7558886
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 30699194
2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 28565056
2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 107573921

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide (CID 79149778) is 2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide is CC(Sc1ccc(N)c(Cl)c1)C(=O)NCc1ccco1.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The InChIKey is RSEATHQDLNBPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9(14(18)17-8-10-3-2-6-19-10)20-11-4-5-13(16)12(15)7-11/h2-7,9H,8,16H2,1H3,(H,17,18).
What are the key properties of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide has a molecular weight of 310.81 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 79149778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).