N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C20H28N4O3S — CID 9391262

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCOc1ccc(C)cc1CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C20H28N4O3S/c1-16-5-7-19(27-4)17(13-16)15-23(3)20-8-6-18(14-21-20)28(25,26)24-11-9-22(2)10-12-24/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeyMFCDELGESFBNFP-UHFFFAOYSA-N
MW404.54 g/mol
LogP1.97
Rot. Bonds6

About N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 9391262) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID9391262
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCOc1ccc(C)cc1CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C20H28N4O3S/c1-16-5-7-19(27-4)17(13-16)15-23(3)20-8-6-18(14-21-20)28(25,26)24-11-9-22(2)10-12-24/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeyMFCDELGESFBNFP-UHFFFAOYSA-N
XLogP1.97
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 9391262) is N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is COc1ccc(C)cc1CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is MFCDELGESFBNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-16-5-7-19(27-4)17(13-16)15-23(3)20-8-6-18(14-21-20)28(25,26)24-11-9-22(2)10-12-24/h5-8,13-14H,9-12,15H2,1-4H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 404.54 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 9391262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).