2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C16H20N2O2S — CID 43302500

IUPAC2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(SCC(=O)N(C)Cc2ccc(C)o2)c(N)c1
InChIInChI=1S/C16H20N2O2S/c1-11-4-7-15(14(17)8-11)21-10-16(19)18(3)9-13-6-5-12(2)20-13/h4-8H,9-10,17H2,1-3H3
InChIKeyWDVRRSOXCDRUQN-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.23
Rot. Bonds5

About 2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 43302500) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID43302500
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(SCC(=O)N(C)Cc2ccc(C)o2)c(N)c1
InChIInChI=1S/C16H20N2O2S/c1-11-4-7-15(14(17)8-11)21-10-16(19)18(3)9-13-6-5-12(2)20-13/h4-8H,9-10,17H2,1-3H3
InChIKeyWDVRRSOXCDRUQN-UHFFFAOYSA-N
XLogP3.23
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60666714
2-(4-amino-3-fluorophenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 79130470
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 9199486
2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 43301277
(2S)-2-amino-3-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 93031307
2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide
CID 79128287
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 40741981
3-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66137138
2-(2-amino-4-methylphenyl)sulfanylacetohydrazide
CID 63582750
4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120597638
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 112790561
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 18283575

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 43302500) is 2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(SCC(=O)N(C)Cc2ccc(C)o2)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is WDVRRSOXCDRUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-4-7-15(14(17)8-11)21-10-16(19)18(3)9-13-6-5-12(2)20-13/h4-8H,9-10,17H2,1-3H3.
What are the key properties of 2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 304.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 43302500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).