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

C20H21N3O5S — CID 3119935

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C20H21N3O5S/c1-4-27-18-8-6-5-7-17(18)19(24)21-15-9-11-16(12-10-15)29(25,26)23-20-13(2)14(3)22-28-20/h5-12,23H,4H2,1-3H3,(H,21,24)
InChIKeyXONKGQCUNUTJQV-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.74
Rot. Bonds7

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

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethoxybenzamide (PubChem CID 3119935) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethoxybenzamide
PubChem CID3119935
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C20H21N3O5S/c1-4-27-18-8-6-5-7-17(18)19(24)21-15-9-11-16(12-10-15)29(25,26)23-20-13(2)14(3)22-28-20/h5-12,23H,4H2,1-3H3,(H,21,24)
InChIKeyXONKGQCUNUTJQV-UHFFFAOYSA-N
XLogP3.74
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
2-methoxy-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
CID 7709015
(E)-3-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1012003
{2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl}{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}methanone
CID 25161947
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 24818185
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-[4-(propan-2-yl)phenoxy]acetamide
CID 985941
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-4-m-tolyloxy-butyramide
CID 649495
N-[4-(5-Methyl-isoxazol-3-ylsulfamoyl)-phenyl]-4-p-tolyloxy-butyramide
CID 652041
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 1078109

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethoxybenzamide (CID 3119935) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethoxybenzamide?
The InChIKey is XONKGQCUNUTJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-4-27-18-8-6-5-7-17(18)19(24)21-15-9-11-16(12-10-15)29(25,26)23-20-13(2)14(3)22-28-20/h5-12,23H,4H2,1-3H3,(H,21,24).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethoxybenzamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethoxybenzamide has a molecular weight of 415.47 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethoxybenzamide is sourced from PubChem (CID 3119935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).