methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate

C16H19N3O5S — CID 646183

IUPACmethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate
SMILESCOC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H19N3O5S/c1-11-5-7-13(8-6-11)25(21,22)19(10-15(20)24-4)16-17-12(2)9-14(18-16)23-3/h5-9H,10H2,1-4H3
InChIKeyQKTKLNGGOKSXBS-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.47
Rot. Bonds6

About methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate

methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate (PubChem CID 646183) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate
PubChem CID646183
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Namemethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate
SMILESCOC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H19N3O5S/c1-11-5-7-13(8-6-11)25(21,22)19(10-15(20)24-4)16-17-12(2)9-14(18-16)23-3/h5-9H,10H2,1-4H3
InChIKeyQKTKLNGGOKSXBS-UHFFFAOYSA-N
XLogP1.47
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate with MolForge

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Related Compounds

N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-benzenesulfonamide
CID 742828
N-[2-(4-Methoxy-6-methyl-pyrimidin-2-yloxy)-ethyl]-2,5-dimethyl-benzenesulfonamide
CID 648848
Methyl {(5-chloro-4-methoxy-6-methyl-2-pyrimidinyl)[(4-methylphenyl)sulfonyl]amino}acetate
CID 658043
N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(prop-2-en-1-yl)benzenesulfonamide
CID 1118002
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 1212198
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 3245110
N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide
CID 1114632
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 649460
Methyl 2-[benzenesulfonyl-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)amino]acetate
CID 3128119
N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-4-methyl-benzenesulfonamide
CID 767952
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 1118003
4-methyl-N-[2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
CID 1597711

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate (CID 646183) is methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate is COC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is QKTKLNGGOKSXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-11-5-7-13(8-6-11)25(21,22)19(10-15(20)24-4)16-17-12(2)9-14(18-16)23-3/h5-9H,10H2,1-4H3.
What are the key properties of methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate?
methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 365.41 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 646183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).