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

C20H21N3O7S — CID 645962

IUPAC3,4,5-trimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O7S/c1-12-9-18(22-30-12)23-31(25,26)15-7-5-14(6-8-15)21-20(24)13-10-16(27-2)19(29-4)17(11-13)28-3/h5-11H,1-4H3,(H,21,24)(H,22,23)
InChIKeyINRYHTLRPWLDLY-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.06
Rot. Bonds8

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

3,4,5-trimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide (PubChem CID 645962) has the molecular formula C20H21N3O7S and a molecular weight of 447.47 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
PubChem CID645962
Molecular FormulaC20H21N3O7S
Molecular Weight447.47 g/mol
Exact Mass447.11
IUPAC Name3,4,5-trimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O7S/c1-12-9-18(22-30-12)23-31(25,26)15-7-5-14(6-8-15)21-20(24)13-10-16(27-2)19(29-4)17(11-13)28-3/h5-11H,1-4H3,(H,21,24)(H,22,23)
InChIKeyINRYHTLRPWLDLY-UHFFFAOYSA-N
XLogP3.06
TPSA128.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.06
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
3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 670757
(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
2-methoxy-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)benzamide
CID 1093076
2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide
CID 1154224
4-methoxy-3-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}-N-phenylbenzamide
CID 1294300
4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 2112279
N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-2,4-dimethoxybenzamide
CID 3420063
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-3,4,5-triethoxybenzamide
CID 2315555
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 2440377

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide (CID 645962) is 3,4,5-trimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide is COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is INRYHTLRPWLDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O7S/c1-12-9-18(22-30-12)23-31(25,26)15-7-5-14(6-8-15)21-20(24)13-10-16(27-2)19(29-4)17(11-13)28-3/h5-11H,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 3,4,5-trimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
3,4,5-trimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 447.47 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 645962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).