2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide

C14H18N2O5S — CID 110673859

IUPAC2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)Nc2cc(C)on2)cc1OC
InChIInChI=1S/C14H18N2O5S/c1-10-8-14(15-21-10)16-22(17,18)7-6-11-4-5-12(19-2)13(9-11)20-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyHVLPNQBTSPGBBL-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.98
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide

2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide (PubChem CID 110673859) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide
PubChem CID110673859
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)Nc2cc(C)on2)cc1OC
InChIInChI=1S/C14H18N2O5S/c1-10-8-14(15-21-10)16-22(17,18)7-6-11-4-5-12(19-2)13(9-11)20-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyHVLPNQBTSPGBBL-UHFFFAOYSA-N
XLogP1.98
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 75355483
2-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethanesulfonamide
CID 110673808
2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide
CID 110673807
2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113152535
2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109003159
N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
CID 110673839
N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
CID 110673847
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid
CID 43362452
2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide
CID 110673780
1-(1,2-benzoxazol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide
CID 90624426
(2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507075
N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423119

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide (CID 110673859) is 2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)Nc2cc(C)on2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide?
The InChIKey is HVLPNQBTSPGBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-10-8-14(15-21-10)16-22(17,18)7-6-11-4-5-12(19-2)13(9-11)20-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide?
2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide has a molecular weight of 326.37 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide is sourced from PubChem (CID 110673859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).