2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide

C15H14N2O3S — CID 859487

IUPAC2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide
SMILESNc1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O3S/c16-11-3-1-2-4-14(11)21-8-15(18)17-10-5-6-12-13(7-10)20-9-19-12/h1-7H,8-9,16H2,(H,17,18)
InChIKeyODVUXUYQAPHKMZ-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.73
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide

2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 859487) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID859487
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide
SMILESNc1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O3S/c16-11-3-1-2-4-14(11)21-8-15(18)17-10-5-6-12-13(7-10)20-9-19-12/h1-7H,8-9,16H2,(H,17,18)
InChIKeyODVUXUYQAPHKMZ-UHFFFAOYSA-N
XLogP2.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzamide
CID 120506749
N-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide
CID 17429171
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 8701867
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzoate
CID 40943389
2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide
CID 3482565
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)benzamide
CID 2472291
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 26908207
N-(1,3-benzodioxol-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 857457
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzoate
CID 42106704
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
CID 110690742

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide (CID 859487) is 2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide is Nc1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is ODVUXUYQAPHKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c16-11-3-1-2-4-14(11)21-8-15(18)17-10-5-6-12-13(7-10)20-9-19-12/h1-7H,8-9,16H2,(H,17,18).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 302.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 859487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).