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

C20H21N3O6S — CID 648989

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC
InChIInChI=1S/C20H21N3O6S/c1-12-13(2)22-29-20(12)23-30(25,26)16-8-6-15(7-9-16)21-19(24)14-5-10-17(27-3)18(11-14)28-4/h5-11,23H,1-4H3,(H,21,24)
InChIKeyWDYMRROIHLLKHH-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.36
Rot. Bonds7

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

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 648989) has the molecular formula C20H21N3O6S and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
PubChem CID648989
Molecular FormulaC20H21N3O6S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC
InChIInChI=1S/C20H21N3O6S/c1-12-13(2)22-29-20(12)23-30(25,26)16-8-6-15(7-9-16)21-19(24)14-5-10-17(27-3)18(11-14)28-4/h5-11,23H,1-4H3,(H,21,24)
InChIKeyWDYMRROIHLLKHH-UHFFFAOYSA-N
XLogP3.36
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-3,4,5-trimethoxy-benzamide
CID 987772
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-4-m-tolyloxy-butyramide
CID 649495
N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(4-ethylphenoxy)acetamide
CID 1107619
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-4-(propan-2-yloxy)benzamide
CID 1157527
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-2-(2-methoxy-phenoxy)-acetamide
CID 1161207
N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(3-ethylphenoxy)acetamide
CID 1192504
4-methoxy-3-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}-N-phenylbenzamide
CID 1294300
N-{4-[({[3-(4-methoxyphenyl)-5-isoxazolyl]methyl}amino)sulfonyl]phenyl}acetamide
CID 1484365

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide (CID 648989) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is WDYMRROIHLLKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6S/c1-12-13(2)22-29-20(12)23-30(25,26)16-8-6-15(7-9-16)21-19(24)14-5-10-17(27-3)18(11-14)28-4/h5-11,23H,1-4H3,(H,21,24).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 431.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-dimethoxybenzamide is sourced from PubChem (CID 648989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).