N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide

C19H21N3O4S — CID 110322979

IUPACN-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide
SMILESCOc1ccccc1-c1noc(CNS(=O)(=O)CCCc2ccccc2)n1
InChIInChI=1S/C19H21N3O4S/c1-25-17-12-6-5-11-16(17)19-21-18(26-22-19)14-20-27(23,24)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,20H,7,10,13-14H2,1H3
InChIKeyOSGAFMINABYZTK-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.80
Rot. Bonds9

About N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide

N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110322979) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide
PubChem CID110322979
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide
SMILESCOc1ccccc1-c1noc(CNS(=O)(=O)CCCc2ccccc2)n1
InChIInChI=1S/C19H21N3O4S/c1-25-17-12-6-5-11-16(17)19-21-18(26-22-19)14-20-27(23,24)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,20H,7,10,13-14H2,1H3
InChIKeyOSGAFMINABYZTK-UHFFFAOYSA-N
XLogP2.80
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide
CID 110324093
2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide
CID 110322590
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
CID 4973301
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylethanesulfonamide
CID 110322890
2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylbenzenesulfonamide
CID 110322963
benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 110324084
N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779830
2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
CID 119947767
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110324097
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 18285226
N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2019912

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide (CID 110322979) is N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide is COc1ccccc1-c1noc(CNS(=O)(=O)CCCc2ccccc2)n1.
What is the InChIKey of N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is OSGAFMINABYZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-25-17-12-6-5-11-16(17)19-21-18(26-22-19)14-20-27(23,24)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,20H,7,10,13-14H2,1H3.
What are the key properties of N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide?
N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 387.46 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110322979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).