methyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate

C15H17N3O5S — CID 657955

IUPACmethyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate
SMILESCOC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N3O5S/c1-11-9-13(22-2)17-15(16-11)18(10-14(19)23-3)24(20,21)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3
InChIKeyRRMZRIRFGNXEKC-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.16
Rot. Bonds6

About methyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate

methyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate (PubChem CID 657955) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is methyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate
PubChem CID657955
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Namemethyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate
SMILESCOC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N3O5S/c1-11-9-13(22-2)17-15(16-11)18(10-14(19)23-3)24(20,21)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3
InChIKeyRRMZRIRFGNXEKC-UHFFFAOYSA-N
XLogP1.16
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-benzenesulfonamide
CID 742828
Methyl {(5-chloro-4-methoxy-6-methyl-2-pyrimidinyl)[(4-methylphenyl)sulfonyl]amino}acetate
CID 658043
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 1212198
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 3245110
Methyl 2-[benzenesulfonyl-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)amino]acetate
CID 3128119
2-chloro-N-(4-methoxy-6-methyl-2-pyrimidinyl)-N-methylbenzenesulfonamide
CID 658041
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
N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 778472
[(4-Methoxy-6-methyl-pyrimidin-2-yl)-(toluene-4-sulfonyl)-amino]-acetic acid methyl ester
CID 646183
methyl 2-(N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylphenylsulfonamido)acetate
CID 658393
N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 767951

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate?
The IUPAC name of methyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate (CID 657955) is methyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate is COC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate?
The InChIKey is RRMZRIRFGNXEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-11-9-13(22-2)17-15(16-11)18(10-14(19)23-3)24(20,21)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3.
What are the key properties of methyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate?
methyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate has a molecular weight of 351.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 657955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).