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

C21H23N3O7S — CID 987772

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O7S/c1-12-13(2)23-31-21(12)24-32(26,27)16-8-6-15(7-9-16)22-20(25)14-10-17(28-3)19(30-5)18(11-14)29-4/h6-11,24H,1-5H3,(H,22,25)
InChIKeyWLIZTJCHGLGJGF-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.37
Rot. Bonds8

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

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 987772) has the molecular formula C21H23N3O7S and a molecular weight of 461.50 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID987772
Molecular FormulaC21H23N3O7S
Molecular Weight461.50 g/mol
Exact Mass461.13
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O7S/c1-12-13(2)23-31-21(12)24-32(26,27)16-8-6-15(7-9-16)22-20(25)14-10-17(28-3)19(30-5)18(11-14)29-4/h6-11,24H,1-5H3,(H,22,25)
InChIKeyWLIZTJCHGLGJGF-UHFFFAOYSA-N
XLogP3.37
TPSA128.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-3,4-dimethoxy-benzamide
CID 648989
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-4-methoxy-benzamide
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-[3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 46227126
N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 46227208
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-4-m-tolyloxy-butyramide
CID 649495
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-4-(propan-2-yloxy)benzamide
CID 1157527
4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 2112279
4-(3-Benzo[1,3]dioxol-5-yl-3-oxo-propenylamino)-N-(3,4-dimethyl-isoxazol-5-yl)-b
CID 2183797
N-(3,4-dimethyl-5-isoxazolyl)-4-{[3-(3-methoxyphenyl)-3-oxo-1-propen-1-yl]amino}benzenesulfonamide
CID 2299067

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide (CID 987772) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is WLIZTJCHGLGJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O7S/c1-12-13(2)23-31-21(12)24-32(26,27)16-8-6-15(7-9-16)22-20(25)14-10-17(28-3)19(30-5)18(11-14)29-4/h6-11,24H,1-5H3,(H,22,25).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 461.50 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 987772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).