2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide

C21H23N3O6S — CID 2894223

IUPAC2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC
InChIInChI=1S/C21H23N3O6S/c1-13-14(2)23-30-21(13)24-31(26,27)17-8-6-16(7-9-17)22-20(25)12-15-5-10-18(28-3)19(11-15)29-4/h5-11,24H,12H2,1-4H3,(H,22,25)
InChIKeyKBBGSJCWGJHTHC-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.29
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide (PubChem CID 2894223) has the molecular formula C21H23N3O6S and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
PubChem CID2894223
Molecular FormulaC21H23N3O6S
Molecular Weight445.50 g/mol
Exact Mass445.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC
InChIInChI=1S/C21H23N3O6S/c1-13-14(2)23-30-21(13)24-31(26,27)17-8-6-16(7-9-17)22-20(25)12-15-5-10-18(28-3)19(11-15)29-4/h5-11,24H,12H2,1-4H3,(H,22,25)
InChIKeyKBBGSJCWGJHTHC-UHFFFAOYSA-N
XLogP3.29
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1106454
2-(2,4-dichlorophenoxy)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 978969
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 19177344
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide
CID 108795812
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)acetamide
CID 987756
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 659894
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 19225858
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylbutanamide
CID 3456725
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4-dimethoxybenzenesulfonamide
CID 19683706
(2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 1122692
2-(3,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1306204

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide (CID 2894223) is 2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is KBBGSJCWGJHTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6S/c1-13-14(2)23-30-21(13)24-31(26,27)17-8-6-16(7-9-17)22-20(25)12-15-5-10-18(28-3)19(11-15)29-4/h5-11,24H,12H2,1-4H3,(H,22,25).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 445.50 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2894223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).