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

C29H35N5O4S — CID 22574723

IUPAC3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide
SMILESCCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(CC)c1
InChIInChI=1S/C29H35N5O4S/c1-6-11-26-31-24(8-3)27(28(30)35)34(26)17-20-14-15-22(21(7-2)16-20)23-12-9-10-13-25(23)39(36,37)33-29-18(4)19(5)32-38-29/h9-10,12-16,33H,6-8,11,17H2,1-5H3,(H2,30,35)
InChIKeyFREUSOYKQUIGQQ-UHFFFAOYSA-N
MW549.70 g/mol
LogP5.18
Rot. Bonds11

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

3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide (PubChem CID 22574723) has the molecular formula C29H35N5O4S and a molecular weight of 549.70 g/mol. Its IUPAC name is 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide
PubChem CID22574723
Molecular FormulaC29H35N5O4S
Molecular Weight549.70 g/mol
Exact Mass549.24
IUPAC Name3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide
SMILESCCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(CC)c1
InChIInChI=1S/C29H35N5O4S/c1-6-11-26-31-24(8-3)27(28(30)35)34(26)17-20-14-15-22(21(7-2)16-20)23-12-9-10-13-25(23)39(36,37)33-29-18(4)19(5)32-38-29/h9-10,12-16,33H,6-8,11,17H2,1-5H3,(H2,30,35)
InChIKeyFREUSOYKQUIGQQ-UHFFFAOYSA-N
XLogP5.18
TPSA133.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.70
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4''-Pyrimidin-2-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 9822616
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
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(hydroxymethyl)-4-[(4-oxo-2-propyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-3-yl)methyl]phenyl]benzenesulfonamide
CID 10166561
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
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methoxymethyl)-4-[(4-oxo-2-propyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-3-yl)methyl]phenyl]benzenesulfonamide
CID 17979733

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide?
The IUPAC name of 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide (CID 22574723) is 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide.
What is the SMILES notation for 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide?
The canonical SMILES for 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide is CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(CC)c1.
What is the InChIKey of 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide?
The InChIKey is FREUSOYKQUIGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O4S/c1-6-11-26-31-24(8-3)27(28(30)35)34(26)17-20-14-15-22(21(7-2)16-20)23-12-9-10-13-25(23)39(36,37)33-29-18(4)19(5)32-38-29/h9-10,12-16,33H,6-8,11,17H2,1-5H3,(H2,30,35).
What are the key properties of 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide?
3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide has a molecular weight of 549.70 g/mol, XLogP of 5.18, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide is sourced from PubChem (CID 22574723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).