2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C13H14N2O2S — CID 79133329

IUPAC2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESNc1cccc(SCC(=O)NCc2ccco2)c1
InChIInChI=1S/C13H14N2O2S/c14-10-3-1-5-12(7-10)18-9-13(16)15-8-11-4-2-6-17-11/h1-7H,8-9,14H2,(H,15,16)
InChIKeyWYVOBRQQELZRNQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.27
Rot. Bonds5

About 2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 79133329) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID79133329
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESNc1cccc(SCC(=O)NCc2ccco2)c1
InChIInChI=1S/C13H14N2O2S/c14-10-3-1-5-12(7-10)18-9-13(16)15-8-11-4-2-6-17-11/h1-7H,8-9,14H2,(H,15,16)
InChIKeyWYVOBRQQELZRNQ-UHFFFAOYSA-N
XLogP2.27
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.27
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

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-5-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 79142309
2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 43302465
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 684732
N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080036
N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide
CID 82164446
2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 9401109
2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 94779967

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 79133329) is 2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide is Nc1cccc(SCC(=O)NCc2ccco2)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is WYVOBRQQELZRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c14-10-3-1-5-12(7-10)18-9-13(16)15-8-11-4-2-6-17-11/h1-7H,8-9,14H2,(H,15,16).
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 262.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 79133329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).