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

C19H19N3O5S — CID 1154224

IUPAC2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C19H19N3O5S/c1-13-11-18(21-27-13)22-28(24,25)17-9-5-15(6-10-17)20-19(23)12-14-3-7-16(26-2)8-4-14/h3-11H,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUDAJXXIKAHFTEO-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.97
Rot. Bonds7

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

2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 1154224) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID1154224
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C19H19N3O5S/c1-13-11-18(21-27-13)22-28(24,25)17-9-5-15(6-10-17)20-19(23)12-14-3-7-16(26-2)8-4-14/h3-11H,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUDAJXXIKAHFTEO-UHFFFAOYSA-N
XLogP2.97
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)cyclohexanecarboxamide
CID 1181036
4-{3-[3-(4-Methoxy-phenyl)-acryloyl]-thioureido}-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide
CID 5752025
N-(4-(N-(3,4-Dimethylisoxazol-5-yl)sulfamoyl)phenyl)-4-methoxybenzamide
CID 655804
N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)-3-methoxybenzamide
CID 978533
3,4,5-Trimethoxy-N-[4-(5-methyl-isoxazol-3-ylsulfamoyl)-phenyl]-benzamide
CID 645962
(E)-3-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1012003
N-[4-(5-Methyl-isoxazol-3-ylsulfamoyl)-phenyl]-3-phenyl-propionamide
CID 644808
N-[4-(5-Methyl-isoxazol-3-ylsulfamoyl)-phenyl]-4-p-tolyloxy-butyramide
CID 652041
2-(2-tert-butylphenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
CID 993058
2-(4-methoxyphenoxy)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamide
CID 1015184
2-(2-isopropylphenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
CID 1015460
2-methoxy-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)benzamide
CID 1093076

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (CID 1154224) is 2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is UDAJXXIKAHFTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-13-11-18(21-27-13)22-28(24,25)17-9-5-15(6-10-17)20-19(23)12-14-3-7-16(26-2)8-4-14/h3-11H,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 401.44 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1154224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).