N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide

C19H20N4O3S — CID 3235328

IUPACN-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide
SMILESCOc1ccccc1CNc1ncncc1-c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C19H20N4O3S/c1-26-18-9-4-3-6-15(18)11-21-19-17(12-20-13-22-19)14-7-5-8-16(10-14)23-27(2,24)25/h3-10,12-13,23H,11H2,1-2H3,(H,20,21,22)
InChIKeyLTBKIRLSXQRIGY-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.14
Rot. Bonds7

About N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide

N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide (PubChem CID 3235328) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide
PubChem CID3235328
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide
SMILESCOc1ccccc1CNc1ncncc1-c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C19H20N4O3S/c1-26-18-9-4-3-6-15(18)11-21-19-17(12-20-13-22-19)14-7-5-8-16(10-14)23-27(2,24)25/h3-10,12-13,23H,11H2,1-2H3,(H,20,21,22)
InChIKeyLTBKIRLSXQRIGY-UHFFFAOYSA-N
XLogP3.14
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide (CID 3235328) is N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide is COc1ccccc1CNc1ncncc1-c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide?
The InChIKey is LTBKIRLSXQRIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-26-18-9-4-3-6-15(18)11-21-19-17(12-20-13-22-19)14-7-5-8-16(10-14)23-27(2,24)25/h3-10,12-13,23H,11H2,1-2H3,(H,20,21,22).
What are the key properties of N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide?
N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3235328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).