N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide

C19H24N4O5S2 — CID 10389165

IUPACN-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide
SMILESCN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1nc2cc(NS(C)(=O)=O)ccc2o1
InChIInChI=1S/C19H24N4O5S2/c1-23(11-10-14-4-6-15(7-5-14)21-29(2,24)25)13-19-20-17-12-16(22-30(3,26)27)8-9-18(17)28-19/h4-9,12,21-22H,10-11,13H2,1-3H3
InChIKeyUWUVSPJRQDDZQM-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.25
Rot. Bonds9

About N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide

N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide (PubChem CID 10389165) has the molecular formula C19H24N4O5S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide
PubChem CID10389165
Molecular FormulaC19H24N4O5S2
Molecular Weight452.56 g/mol
Exact Mass452.12
IUPAC NameN-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide
SMILESCN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1nc2cc(NS(C)(=O)=O)ccc2o1
InChIInChI=1S/C19H24N4O5S2/c1-23(11-10-14-4-6-15(7-5-14)21-29(2,24)25)13-19-20-17-12-16(22-30(3,26)27)8-9-18(17)28-19/h4-9,12,21-22H,10-11,13H2,1-3H3
InChIKeyUWUVSPJRQDDZQM-UHFFFAOYSA-N
XLogP2.25
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide (CID 10389165) is N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide is CN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1nc2cc(NS(C)(=O)=O)ccc2o1.
What is the InChIKey of N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide?
The InChIKey is UWUVSPJRQDDZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S2/c1-23(11-10-14-4-6-15(7-5-14)21-29(2,24)25)13-19-20-17-12-16(22-30(3,26)27)8-9-18(17)28-19/h4-9,12,21-22H,10-11,13H2,1-3H3.
What are the key properties of N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide has a molecular weight of 452.56 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 10389165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).