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

C17H18N2O3S — CID 110711884

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCc1nc2ccccc2o1
InChIInChI=1S/C17H18N2O3S/c20-23(21,13-11-14-6-2-1-3-7-14)18-12-10-17-19-15-8-4-5-9-16(15)22-17/h1-9,18H,10-13H2
InChIKeyNQJQURKCFVKRGO-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.53
Rot. Bonds7

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

N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide (PubChem CID 110711884) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide
PubChem CID110711884
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCc1nc2ccccc2o1
InChIInChI=1S/C17H18N2O3S/c20-23(21,13-11-14-6-2-1-3-7-14)18-12-10-17-19-15-8-4-5-9-16(15)22-17/h1-9,18H,10-13H2
InChIKeyNQJQURKCFVKRGO-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-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 9188631
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide
CID 110791022
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110711871
1,3-benzoxazol-2-ylmethanesulfonic acid
CID 12745947
N'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide
CID 175087915
N-[3-(1,3-benzoxazol-2-yl)propyl]formamide
CID 87717717
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 64532096
2-ethyl-1,3-benzoxazole
CID 23239
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110711846

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide (CID 110711884) is N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCCc1nc2ccccc2o1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide?
The InChIKey is NQJQURKCFVKRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-23(21,13-11-14-6-2-1-3-7-14)18-12-10-17-19-15-8-4-5-9-16(15)22-17/h1-9,18H,10-13H2.
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide?
N-[2-(1,3-benzoxazol-2-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-2-yl)ethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 110711884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).