3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide

C18H19N3O5S — CID 110322110

IUPAC3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2nnc(C)o2)cc1OC
InChIInChI=1S/C18H19N3O5S/c1-12-19-20-18(26-12)17(13-7-5-4-6-8-13)21-27(22,23)14-9-10-15(24-2)16(11-14)25-3/h4-11,17,21H,1-3H3
InChIKeySXVAMYKLFHMALE-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.46
Rot. Bonds7

About 3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide

3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide (PubChem CID 110322110) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
PubChem CID110322110
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2nnc(C)o2)cc1OC
InChIInChI=1S/C18H19N3O5S/c1-12-19-20-18(26-12)17(13-7-5-4-6-8-13)21-27(22,23)14-9-10-15(24-2)16(11-14)25-3/h4-11,17,21H,1-3H3
InChIKeySXVAMYKLFHMALE-UHFFFAOYSA-N
XLogP2.46
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 110322095
3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 20960148
4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 92710992
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3721813
N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
CID 5016211
N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 54774549
3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320319
N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 6734824
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 124548042
N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100668632
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide (CID 110322110) is 3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC(c2ccccc2)c2nnc(C)o2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide?
The InChIKey is SXVAMYKLFHMALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-12-19-20-18(26-12)17(13-7-5-4-6-8-13)21-27(22,23)14-9-10-15(24-2)16(11-14)25-3/h4-11,17,21H,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide?
3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide has a molecular weight of 389.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide is sourced from PubChem (CID 110322110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).