N-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide

C14H16N2O2S — CID 107780020

IUPACN-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
SMILESCc1occc1SCC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C14H16N2O2S/c1-9-11(15)4-3-5-12(9)16-14(17)8-19-13-6-7-18-10(13)2/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyXZXCWGMQGJECMO-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.21
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide

N-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide (PubChem CID 107780020) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
PubChem CID107780020
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
SMILESCc1occc1SCC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C14H16N2O2S/c1-9-11(15)4-3-5-12(9)16-14(17)8-19-13-6-7-18-10(13)2/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyXZXCWGMQGJECMO-UHFFFAOYSA-N
XLogP3.21
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.21
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-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 107779905
N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 61296037
methyl 2-[2-(3-amino-2-methylanilino)-2-oxoethyl]sulfanylacetate
CID 43618012
2-(2-amino-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715
2-(3-amino-2-methylphenyl)sulfanylacetohydrazide
CID 79140854
N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
CID 55136606
N-(3-amino-2-methylphenyl)-3-(1-hydroxypropan-2-ylsulfanyl)propanamide
CID 113373810
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43302526
N-(3-amino-2-methylphenyl)-4-(furan-2-ylmethylsulfanyl)butanamide
CID 28979227
2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1134166
N-(3-amino-2-methylphenyl)-3-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66102876
(3-amino-2-methylphenyl)urea
CID 16770559

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide (CID 107780020) is N-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide is Cc1occc1SCC(=O)Nc1cccc(N)c1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide?
The InChIKey is XZXCWGMQGJECMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-11(15)4-3-5-12(9)16-14(17)8-19-13-6-7-18-10(13)2/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide?
N-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide has a molecular weight of 276.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide is sourced from PubChem (CID 107780020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).