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

C27H30ClN5O4S — CID 20747572

IUPAC3-[[3-chloro-4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide
SMILESCCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(Cl)c1
InChIInChI=1S/C27H30ClN5O4S/c1-5-9-24-30-22(6-2)25(26(29)34)33(24)15-18-12-13-19(21(28)14-18)20-10-7-8-11-23(20)38(35,36)32-27-16(3)17(4)31-37-27/h7-8,10-14,32H,5-6,9,15H2,1-4H3,(H2,29,34)
InChIKeyJGWYBBRQGZMTJS-UHFFFAOYSA-N
MW556.09 g/mol
LogP5.27
Rot. Bonds10

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

3-[[3-chloro-4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide (PubChem CID 20747572) has the molecular formula C27H30ClN5O4S and a molecular weight of 556.09 g/mol. Its IUPAC name is 3-[[3-chloro-4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-[[3-chloro-4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide
PubChem CID20747572
Molecular FormulaC27H30ClN5O4S
Molecular Weight556.09 g/mol
Exact Mass555.17
IUPAC Name3-[[3-chloro-4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide
SMILESCCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(Cl)c1
InChIInChI=1S/C27H30ClN5O4S/c1-5-9-24-30-22(6-2)25(26(29)34)33(24)15-18-12-13-19(21(28)14-18)20-10-7-8-11-23(20)38(35,36)32-27-16(3)17(4)31-37-27/h7-8,10-14,32H,5-6,9,15H2,1-4H3,(H2,29,34)
InChIKeyJGWYBBRQGZMTJS-UHFFFAOYSA-N
XLogP5.27
TPSA133.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.09
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
5-Chloro-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-2-propylimidazole-4-carboxamide
CID 18004820
3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide
CID 20747573

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide?
The IUPAC name of 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) is 3-[[3-chloro-4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide.
What is the SMILES notation for 3-[[3-chloro-4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide?
The canonical SMILES for 3-[[3-chloro-4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide is CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(Cl)c1.
What is the InChIKey of 3-[[3-chloro-4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide?
The InChIKey is JGWYBBRQGZMTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O4S/c1-5-9-24-30-22(6-2)25(26(29)34)33(24)15-18-12-13-19(21(28)14-18)20-10-7-8-11-23(20)38(35,36)32-27-16(3)17(4)31-37-27/h7-8,10-14,32H,5-6,9,15H2,1-4H3,(H2,29,34).
What are the key properties of 3-[[3-chloro-4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide?
3-[[3-chloro-4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide has a molecular weight of 556.09 g/mol, XLogP of 5.27, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide is sourced from PubChem (CID 20747572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).