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

C19H20N4O3S — CID 3234373

IUPACN-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide
SMILESCOc1ccccc1CNc1ccnc(-c2cccc(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C19H20N4O3S/c1-26-17-9-4-3-6-15(17)13-21-18-10-11-20-19(22-18)14-7-5-8-16(12-14)23-27(2,24)25/h3-12,23H,13H2,1-2H3,(H,20,21,22)
InChIKeyARDHHDUGMFXQJG-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.14
Rot. Bonds7

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

N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide (PubChem CID 3234373) 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-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide
PubChem CID3234373
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide
SMILESCOc1ccccc1CNc1ccnc(-c2cccc(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C19H20N4O3S/c1-26-17-9-4-3-6-15(17)13-21-18-10-11-20-19(22-18)14-7-5-8-16(12-14)23-27(2,24)25/h3-12,23H,13H2,1-2H3,(H,20,21,22)
InChIKeyARDHHDUGMFXQJG-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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide (CID 3234373) is N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide is COc1ccccc1CNc1ccnc(-c2cccc(NS(C)(=O)=O)c2)n1.
What is the InChIKey of N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide?
The InChIKey is ARDHHDUGMFXQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-26-17-9-4-3-6-15(17)13-21-18-10-11-20-19(22-18)14-7-5-8-16(12-14)23-27(2,24)25/h3-12,23H,13H2,1-2H3,(H,20,21,22).
What are the key properties of N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide?
N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-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-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3234373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).