N-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C18H19N3O5S — CID 46476334

IUPACN-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCS(=O)(=O)Nc1ccccc1CNC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C18H19N3O5S/c1-27(24,25)20-14-7-3-2-6-13(14)12-19-17(22)10-11-21-15-8-4-5-9-16(15)26-18(21)23/h2-9,20H,10-12H2,1H3,(H,19,22)
InChIKeySTWDQEZPMIDGRL-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.67
Rot. Bonds7

About N-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 46476334) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID46476334
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCS(=O)(=O)Nc1ccccc1CNC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C18H19N3O5S/c1-27(24,25)20-14-7-3-2-6-13(14)12-19-17(22)10-11-21-15-8-4-5-9-16(15)26-18(21)23/h2-9,20H,10-12H2,1H3,(H,19,22)
InChIKeySTWDQEZPMIDGRL-UHFFFAOYSA-N
XLogP1.67
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9481617
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9481616
N-[(4-cyanophenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 52571612
N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 120828743
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide
CID 27844689
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 47088605
N-butyl-4-[[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzamide
CID 86986290
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-oxo-1H-pyridin-3-yl)propanamide
CID 51101208
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46454589

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 46476334) is N-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CS(=O)(=O)Nc1ccccc1CNC(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is STWDQEZPMIDGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-27(24,25)20-14-7-3-2-6-13(14)12-19-17(22)10-11-21-15-8-4-5-9-16(15)26-18(21)23/h2-9,20H,10-12H2,1H3,(H,19,22).
What are the key properties of N-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 389.43 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 46476334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).