1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide

C28H24N6O8S2 — CID 5175832

IUPAC1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(S(=O)(=O)Nc5cc(C)on5)cc4)cc3)cc2)no1
InChIInChI=1S/C28H24N6O8S2/c1-17-15-25(31-41-17)33-43(37,38)23-11-7-21(8-12-23)29-27(35)19-3-5-20(6-4-19)28(36)30-22-9-13-24(14-10-22)44(39,40)34-26-16-18(2)42-32-26/h3-16H,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34)
InChIKeyBAMFOCNYJSUYLN-UHFFFAOYSA-N
MW636.67 g/mol
LogP4.39
Rot. Bonds10

About 1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide (PubChem CID 5175832) has the molecular formula C28H24N6O8S2 and a molecular weight of 636.67 g/mol. Its IUPAC name is 1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
PubChem CID5175832
Molecular FormulaC28H24N6O8S2
Molecular Weight636.67 g/mol
Exact Mass636.11
IUPAC Name1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(S(=O)(=O)Nc5cc(C)on5)cc4)cc3)cc2)no1
InChIInChI=1S/C28H24N6O8S2/c1-17-15-25(31-41-17)33-43(37,38)23-11-7-21(8-12-23)29-27(35)19-3-5-20(6-4-19)28(36)30-22-9-13-24(14-10-22)44(39,40)34-26-16-18(2)42-32-26/h3-16H,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34)
InChIKeyBAMFOCNYJSUYLN-UHFFFAOYSA-N
XLogP4.39
TPSA202.60 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.67
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide with MolForge

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Related Compounds

4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
CID 109061637
4-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 2252935
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 109061783
3,5-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17311084
3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1010376
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(2-phenylethoxy)benzamide
CID 4956376
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
N-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109061835
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenoxybenzamide
CID 2141409
2,6-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1181025
4,6-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224436
2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1108217

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide (CID 5175832) is 1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(S(=O)(=O)Nc5cc(C)on5)cc4)cc3)cc2)no1.
What is the InChIKey of 1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide?
The InChIKey is BAMFOCNYJSUYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O8S2/c1-17-15-25(31-41-17)33-43(37,38)23-11-7-21(8-12-23)29-27(35)19-3-5-20(6-4-19)28(36)30-22-9-13-24(14-10-22)44(39,40)34-26-16-18(2)42-32-26/h3-16H,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34).
What are the key properties of 1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide has a molecular weight of 636.67 g/mol, XLogP of 4.39, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 5175832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).