5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide

C25H26ClN5O4S — CID 18004820

IUPAC5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide
SMILESCCCc1nc(Cl)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C25H26ClN5O4S/c1-4-7-21-28-23(26)22(24(27)32)31(21)14-17-10-12-18(13-11-17)19-8-5-6-9-20(19)36(33,34)30-25-15(2)16(3)29-35-25/h5-6,8-13,30H,4,7,14H2,1-3H3,(H2,27,32)
InChIKeyXYHBLDIJAJYURE-UHFFFAOYSA-N
MW528.03 g/mol
LogP4.71
Rot. Bonds9

About 5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide

5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide (PubChem CID 18004820) has the molecular formula C25H26ClN5O4S and a molecular weight of 528.03 g/mol. Its IUPAC name is 5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide
PubChem CID18004820
Molecular FormulaC25H26ClN5O4S
Molecular Weight528.03 g/mol
Exact Mass527.14
IUPAC Name5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide
SMILESCCCc1nc(Cl)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C25H26ClN5O4S/c1-4-7-21-28-23(26)22(24(27)32)31(21)14-17-10-12-18(13-11-17)19-8-5-6-9-20(19)36(33,34)30-25-15(2)16(3)29-35-25/h5-6,8-13,30H,4,7,14H2,1-3H3,(H2,27,32)
InChIKeyXYHBLDIJAJYURE-UHFFFAOYSA-N
XLogP4.71
TPSA133.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.03
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(3,3-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-[(4-oxo-2-propyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-3-yl)methyl]phenyl]benzenesulfonamide
CID 17979744
3-[[4-[2-[(3,4-Dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(methoxymethyl)phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide
CID 20747574
3-[2''-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-methyl-biphenyl-4-ylmethyl]-5-ethyl-2-propyl-3H-imidazole-4-carboxylic acid amide
CID 9871837
3-[2''-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-methyl-biphenyl-4-ylmethyl]-5-ethyl-2-propyl-3H-imidazole-4-carboxylic acid methylamide
CID 9985001
3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-N,N-dimethyl-2-propylimidazole-4-carboxamide
CID 10166104
2-[4-[(5-acetyl-4-chloro-2-propylimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 10208527
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methyl-4-[(4-oxo-2-propyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-3-yl)methyl]phenyl]benzenesulfonamide
CID 10209324
2-Butyl-5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]imidazole-4-carboxamide
CID 10280531
Methyl 5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate
CID 10280562
3-[[4-[2-[(3,4-Dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide
CID 17979745
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-fluoro-4-[(4-oxo-2-propyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-3-yl)methyl]phenyl]benzenesulfonamide
CID 17979749
3-[[3-Chloro-4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide
CID 20747572

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide?
The IUPAC name of 5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide (CID 18004820) is 5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide?
The canonical SMILES for 5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide is CCCc1nc(Cl)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1.
What is the InChIKey of 5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide?
The InChIKey is XYHBLDIJAJYURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O4S/c1-4-7-21-28-23(26)22(24(27)32)31(21)14-17-10-12-18(13-11-17)19-8-5-6-9-20(19)36(33,34)30-25-15(2)16(3)29-35-25/h5-6,8-13,30H,4,7,14H2,1-3H3,(H2,27,32).
What are the key properties of 5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide?
5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide has a molecular weight of 528.03 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide is sourced from PubChem (CID 18004820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).