3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine

C19H20N2O3S2 — CID 167581803

IUPAC3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCOCc1ccc(-c2ccc(S(C)(=O)=O)cc2)nc1NCc1cccs1
InChIInChI=1S/C19H20N2O3S2/c1-24-13-15-7-10-18(14-5-8-17(9-6-14)26(2,22)23)21-19(15)20-12-16-4-3-11-25-16/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyCDQFDFQZAJHGBE-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.97
Rot. Bonds7

About 3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine

3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 167581803) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID167581803
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCOCc1ccc(-c2ccc(S(C)(=O)=O)cc2)nc1NCc1cccs1
InChIInChI=1S/C19H20N2O3S2/c1-24-13-15-7-10-18(14-5-8-17(9-6-14)26(2,22)23)21-19(15)20-12-16-4-3-11-25-16/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyCDQFDFQZAJHGBE-UHFFFAOYSA-N
XLogP3.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 167018958
3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-5-amine
CID 167635192
5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 167554192
1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43182189
2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine
CID 167542082
1-ethyl-2-[(4-methylsulfonylphenyl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257645
4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 68647705
2-(methoxymethyl)thiophene
CID 10240820
5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine
CID 3660565
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66324994
2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine
CID 167576117

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 167581803) is 3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine is COCc1ccc(-c2ccc(S(C)(=O)=O)cc2)nc1NCc1cccs1.
What is the InChIKey of 3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is CDQFDFQZAJHGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-24-13-15-7-10-18(14-5-8-17(9-6-14)26(2,22)23)21-19(15)20-12-16-4-3-11-25-16/h3-11H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 388.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 167581803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).