N-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide

C18H19N3O4S — CID 99819845

IUPACN-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H](C)NS(=O)(=O)Cc2noc3ccccc23)c1
InChIInChI=1S/C18H19N3O4S/c1-12(14-6-5-7-15(10-14)19-13(2)22)21-26(23,24)11-17-16-8-3-4-9-18(16)25-20-17/h3-10,12,21H,11H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyYTIACQIWDPQTKG-GFCCVEGCSA-N
MW373.43 g/mol
LogP2.97
Rot. Bonds6

About N-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide

N-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide (PubChem CID 99819845) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide
PubChem CID99819845
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H](C)NS(=O)(=O)Cc2noc3ccccc23)c1
InChIInChI=1S/C18H19N3O4S/c1-12(14-6-5-7-15(10-14)19-13(2)22)21-26(23,24)11-17-16-8-3-4-9-18(16)25-20-17/h3-10,12,21H,11H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyYTIACQIWDPQTKG-GFCCVEGCSA-N
XLogP2.97
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide (CID 99819845) is N-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide is CC(=O)Nc1cccc([C@@H](C)NS(=O)(=O)Cc2noc3ccccc23)c1.
What is the InChIKey of N-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide?
The InChIKey is YTIACQIWDPQTKG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12(14-6-5-7-15(10-14)19-13(2)22)21-26(23,24)11-17-16-8-3-4-9-18(16)25-20-17/h3-10,12,21H,11H2,1-2H3,(H,19,22)/t12-/m1/s1.
What are the key properties of N-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide?
N-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide has a molecular weight of 373.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 99819845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).