N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide

C20H21N3O3S — CID 1118003

IUPACN-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCOc1cc(C)nc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C20H21N3O3S/c1-15-9-11-18(12-10-15)27(24,25)23(14-17-7-5-4-6-8-17)20-21-16(2)13-19(22-20)26-3/h4-13H,14H2,1-3H3
InChIKeyXTTMVLKLUQPSTP-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.50
Rot. Bonds6

About N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide

N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 1118003) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
PubChem CID1118003
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCOc1cc(C)nc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C20H21N3O3S/c1-15-9-11-18(12-10-15)27(24,25)23(14-17-7-5-4-6-8-17)20-21-16(2)13-19(22-20)26-3/h4-13H,14H2,1-3H3
InChIKeyXTTMVLKLUQPSTP-UHFFFAOYSA-N
XLogP3.50
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide (CID 1118003) is N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide is COc1cc(C)nc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)n1.
What is the InChIKey of N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is XTTMVLKLUQPSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-15-9-11-18(12-10-15)27(24,25)23(14-17-7-5-4-6-8-17)20-21-16(2)13-19(22-20)26-3/h4-13H,14H2,1-3H3.
What are the key properties of N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 1118003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).