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

C30H37N5O5S — CID 20747575

IUPAC3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(methoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide
SMILESCCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(COC)c1
InChIInChI=1S/C30H37N5O5S/c1-7-11-27-32-25(8-2)28(29(36)31-5)35(27)17-21-14-15-23(22(16-21)18-39-6)24-12-9-10-13-26(24)41(37,38)34-30-19(3)20(4)33-40-30/h9-10,12-16,34H,7-8,11,17-18H2,1-6H3,(H,31,36)
InChIKeyMNJMLQKJRCXWRC-UHFFFAOYSA-N
MW579.72 g/mol
LogP5.02
Rot. Bonds12

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

3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(methoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide (PubChem CID 20747575) has the molecular formula C30H37N5O5S and a molecular weight of 579.72 g/mol. Its IUPAC name is 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(methoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(methoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide
PubChem CID20747575
Molecular FormulaC30H37N5O5S
Molecular Weight579.72 g/mol
Exact Mass579.25
IUPAC Name3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(methoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide
SMILESCCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(COC)c1
InChIInChI=1S/C30H37N5O5S/c1-7-11-27-32-25(8-2)28(29(36)31-5)35(27)17-21-14-15-23(22(16-21)18-39-6)24-12-9-10-13-26(24)41(37,38)34-30-19(3)20(4)33-40-30/h9-10,12-16,34H,7-8,11,17-18H2,1-6H3,(H,31,36)
InChIKeyMNJMLQKJRCXWRC-UHFFFAOYSA-N
XLogP5.02
TPSA128.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.72
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(methoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(methoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide?
The IUPAC name of 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(methoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide (CID 20747575) is 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(methoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide.
What is the SMILES notation for 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(methoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide?
The canonical SMILES for 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(methoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide is CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(COC)c1.
What is the InChIKey of 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(methoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide?
The InChIKey is MNJMLQKJRCXWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O5S/c1-7-11-27-32-25(8-2)28(29(36)31-5)35(27)17-21-14-15-23(22(16-21)18-39-6)24-12-9-10-13-26(24)41(37,38)34-30-19(3)20(4)33-40-30/h9-10,12-16,34H,7-8,11,17-18H2,1-6H3,(H,31,36).
What are the key properties of 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(methoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide?
3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(methoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide has a molecular weight of 579.72 g/mol, XLogP of 5.02, 12 rotatable bonds, 2 hydrogen bond donors, and 8 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-(methoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide is sourced from PubChem (CID 20747575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).