1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone

C16H20N2OS2 — CID 103418163

IUPAC1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone
SMILESCSc1c(N(C)Cc2cccc(C)c2)sc(C(C)=O)c1N
InChIInChI=1S/C16H20N2OS2/c1-10-6-5-7-12(8-10)9-18(3)16-15(20-4)13(17)14(21-16)11(2)19/h5-8H,9,17H2,1-4H3
InChIKeyNDMLHBAXDQTEHF-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.20
Rot. Bonds5

About 1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone

1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone (PubChem CID 103418163) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone
PubChem CID103418163
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone
SMILESCSc1c(N(C)Cc2cccc(C)c2)sc(C(C)=O)c1N
InChIInChI=1S/C16H20N2OS2/c1-10-6-5-7-12(8-10)9-18(3)16-15(20-4)13(17)14(21-16)11(2)19/h5-8H,9,17H2,1-4H3
InChIKeyNDMLHBAXDQTEHF-UHFFFAOYSA-N
XLogP4.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103418165
1-[3-amino-5-[benzyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103420298
3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide
CID 103418162
1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
CID 60967598
1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
CID 61414179
1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone
CID 103432141
3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide
CID 115934261
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone
CID 103420289
3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide
CID 62313165
4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116663126
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone (CID 103418163) is 1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone is CSc1c(N(C)Cc2cccc(C)c2)sc(C(C)=O)c1N.
What is the InChIKey of 1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone?
The InChIKey is NDMLHBAXDQTEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-10-6-5-7-12(8-10)9-18(3)16-15(20-4)13(17)14(21-16)11(2)19/h5-8H,9,17H2,1-4H3.
What are the key properties of 1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone?
1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone has a molecular weight of 320.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone is sourced from PubChem (CID 103418163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).