N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide

C17H18N2O3S — CID 110791022

IUPACN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCc1ccc2ncoc2c1
InChIInChI=1S/C17H18N2O3S/c20-23(21,11-9-14-4-2-1-3-5-14)19-10-8-15-6-7-16-17(12-15)22-13-18-16/h1-7,12-13,19H,8-11H2
InChIKeyIYEMZYBOHHFLDK-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.53
Rot. Bonds7

About N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide

N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide (PubChem CID 110791022) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide
PubChem CID110791022
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCc1ccc2ncoc2c1
InChIInChI=1S/C17H18N2O3S/c20-23(21,11-9-14-4-2-1-3-5-14)19-10-8-15-6-7-16-17(12-15)22-13-18-16/h1-7,12-13,19H,8-11H2
InChIKeyIYEMZYBOHHFLDK-UHFFFAOYSA-N
XLogP2.53
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110711884
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110791001
3-acetyl-N-[2-(1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide
CID 110791033
phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate
CID 110790963
4-[2-(1,3-benzoxazol-6-yl)ethylamino]-4-oxobutanoic acid
CID 115163729
N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
CID 110796039
N-[2-(2-phenylethylsulfamoyl)ethyl]benzamide
CID 7423263
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 64532096
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110707437
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110792439

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide (CID 110791022) is N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCCc1ccc2ncoc2c1.
What is the InChIKey of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide?
The InChIKey is IYEMZYBOHHFLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-23(21,11-9-14-4-2-1-3-5-14)19-10-8-15-6-7-16-17(12-15)22-13-18-16/h1-7,12-13,19H,8-11H2.
What are the key properties of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide?
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 110791022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).