N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide

C21H27N5O5S — CID 163869068

IUPACN-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide
SMILESC=Cc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NN3CCCCCC3)cc2)no1
InChIInChI=1S/C21H27N5O5S/c1-2-17-15-19(24-31-17)20(27)22-12-11-16-7-9-18(10-8-16)32(29,30)25-21(28)23-26-13-5-3-4-6-14-26/h2,7-10,15H,1,3-6,11-14H2,(H,22,27)(H2,23,25,28)
InChIKeyPJEVZOWDXPHTNH-UHFFFAOYSA-N
MW461.54 g/mol
LogP2.07
Rot. Bonds8

About N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide

N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide (PubChem CID 163869068) has the molecular formula C21H27N5O5S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide
PubChem CID163869068
Molecular FormulaC21H27N5O5S
Molecular Weight461.54 g/mol
Exact Mass461.17
IUPAC NameN-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide
SMILESC=Cc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NN3CCCCCC3)cc2)no1
InChIInChI=1S/C21H27N5O5S/c1-2-17-15-19(24-31-17)20(27)22-12-11-16-7-9-18(10-8-16)32(29,30)25-21(28)23-26-13-5-3-4-6-14-26/h2,7-10,15H,1,3-6,11-14H2,(H,22,27)(H2,23,25,28)
InChIKeyPJEVZOWDXPHTNH-UHFFFAOYSA-N
XLogP2.07
TPSA133.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
CID 21388992
3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide
CID 21389041
1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea
CID 23275206
N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide
CID 21389065
1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea;1-butyl-3-(4-methylphenyl)sulfonylurea
CID 66869930
methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate
CID 59767886
N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide
CID 21389104
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,3,4,5,6-pentafluorobenzamide
CID 10346554
2-chloro-N-[2-(4-fluorophenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 4002004
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 163449069
1-(azepan-1-yl)-3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]sulfonylurea
CID 71752604

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide (CID 163869068) is N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide is C=Cc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NN3CCCCCC3)cc2)no1.
What is the InChIKey of N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide?
The InChIKey is PJEVZOWDXPHTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5S/c1-2-17-15-19(24-31-17)20(27)22-12-11-16-7-9-18(10-8-16)32(29,30)25-21(28)23-26-13-5-3-4-6-14-26/h2,7-10,15H,1,3-6,11-14H2,(H,22,27)(H2,23,25,28).
What are the key properties of N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide?
N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 163869068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).