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

C18H19N3O4S — CID 110606841

IUPAC2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)NCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H19N3O4S/c1-24-16-9-5-6-14(12-16)10-11-26(22,23)19-13-17-20-21-18(25-17)15-7-3-2-4-8-15/h2-9,12,19H,10-11,13H2,1H3
InChIKeyCDHUHMVDYYRNST-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.41
Rot. Bonds8

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

2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide (PubChem CID 110606841) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide
PubChem CID110606841
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)NCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H19N3O4S/c1-24-16-9-5-6-14(12-16)10-11-26(22,23)19-13-17-20-21-18(25-17)15-7-3-2-4-8-15/h2-9,12,19H,10-11,13H2,1H3
InChIKeyCDHUHMVDYYRNST-UHFFFAOYSA-N
XLogP2.41
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
3-(3-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 110408609
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110320059
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylethanesulfonamide
CID 110324207
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139034
3-(3-methoxyphenyl)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658534
2-(3-methoxyphenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92599497
2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide
CID 110406486

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide (CID 110606841) is 2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide is COc1cccc(CCS(=O)(=O)NCc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide?
The InChIKey is CDHUHMVDYYRNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-24-16-9-5-6-14(12-16)10-11-26(22,23)19-13-17-20-21-18(25-17)15-7-3-2-4-8-15/h2-9,12,19H,10-11,13H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide?
2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 110606841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).