1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea

C21H22N4O4S — CID 130356236

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea
SMILESCc1nc2cc(NS(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)ccc2o1
InChIInChI=1S/C21H22N4O4S/c1-12-22-18-11-15(8-9-19(18)29-12)24-30(27,28)25-21(26)23-20-16-6-2-4-13(16)10-14-5-3-7-17(14)20/h8-11,24H,2-7H2,1H3,(H2,23,25,26)
InChIKeyFHVLHSCMTGGGOB-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.59
Rot. Bonds4

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea (PubChem CID 130356236) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea
PubChem CID130356236
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea
SMILESCc1nc2cc(NS(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)ccc2o1
InChIInChI=1S/C21H22N4O4S/c1-12-22-18-11-15(8-9-19(18)29-12)24-30(27,28)25-21(26)23-20-16-6-2-4-13(16)10-14-5-3-7-17(14)20/h8-11,24H,2-7H2,1H3,(H2,23,25,26)
InChIKeyFHVLHSCMTGGGOB-UHFFFAOYSA-N
XLogP3.59
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea with MolForge

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Related Compounds

1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea
CID 130356344
1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
CID 126141306
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650
3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]propanoic acid
CID 43361826
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(6-methylpyrazin-2-yl)sulfonylurea
CID 137404473
CID 175753214
CID 175753214
N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide
CID 110760599
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpyrimidine-5-carboxamide
CID 137404276
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea
CID 146394255
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 34303904
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea (CID 130356236) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea is Cc1nc2cc(NS(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)ccc2o1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea?
The InChIKey is FHVLHSCMTGGGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-12-22-18-11-15(8-9-19(18)29-12)24-30(27,28)25-21(26)23-20-16-6-2-4-13(16)10-14-5-3-7-17(14)20/h8-11,24H,2-7H2,1H3,(H2,23,25,26).
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea has a molecular weight of 426.50 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]urea is sourced from PubChem (CID 130356236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).