2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C14H16N2O2S — CID 43302465

IUPAC2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(SCC(=O)NCc2ccco2)c(N)c1
InChIInChI=1S/C14H16N2O2S/c1-10-4-5-13(12(15)7-10)19-9-14(17)16-8-11-3-2-6-18-11/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeyFRMVCEACZNWMJW-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.58
Rot. Bonds5

About 2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 43302465) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID43302465
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(SCC(=O)NCc2ccco2)c(N)c1
InChIInChI=1S/C14H16N2O2S/c1-10-4-5-13(12(15)7-10)19-9-14(17)16-8-11-3-2-6-18-11/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeyFRMVCEACZNWMJW-UHFFFAOYSA-N
XLogP2.58
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide 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

2-(2-amino-5-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 79142309
2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 43302482
2-(2-amino-4-methylphenyl)sulfanylacetohydrazide
CID 63582750
N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177
2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 79133329
2-(2-amino-4-methylphenyl)sulfanyl-N-prop-2-enylacetamide
CID 43302751
N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2359439
N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062256
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
2-(2-amino-4-methylphenyl)sulfanyl-N-propan-2-ylacetamide
CID 43302733
2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 55334790
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 43302465) is 2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide is Cc1ccc(SCC(=O)NCc2ccco2)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FRMVCEACZNWMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-4-5-13(12(15)7-10)19-9-14(17)16-8-11-3-2-6-18-11/h2-7H,8-9,15H2,1H3,(H,16,17).
What are the key properties of 2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 276.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 43302465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).