2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide

C29H34FN5O4S — CID 10698239

IUPAC2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide
SMILESCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1F
InChIInChI=1S/C29H34FN5O4S/c1-7-25-31-23-14-15-34(18-26(36)33(5)6)28(37)27(23)35(25)17-20-13-12-19(16-22(20)30)21-10-8-9-11-24(21)40(38,39)32-29(2,3)4/h8-16,32H,7,17-18H2,1-6H3
InChIKeyOJPKZMUGCPPSBZ-UHFFFAOYSA-N
MW567.69 g/mol
LogP3.78
Rot. Bonds8

About 2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide

2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide (PubChem CID 10698239) has the molecular formula C29H34FN5O4S and a molecular weight of 567.69 g/mol. Its IUPAC name is 2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide
PubChem CID10698239
Molecular FormulaC29H34FN5O4S
Molecular Weight567.69 g/mol
Exact Mass567.23
IUPAC Name2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide
SMILESCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1F
InChIInChI=1S/C29H34FN5O4S/c1-7-25-31-23-14-15-34(18-26(36)33(5)6)28(37)27(23)35(25)17-20-13-12-19(16-22(20)30)21-10-8-9-11-24(21)40(38,39)32-29(2,3)4/h8-16,32H,7,17-18H2,1-6H3
InChIKeyOJPKZMUGCPPSBZ-UHFFFAOYSA-N
XLogP3.78
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.69
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide (CID 10698239) is 2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide is CCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1F.
What is the InChIKey of 2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide?
The InChIKey is OJPKZMUGCPPSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN5O4S/c1-7-25-31-23-14-15-34(18-26(36)33(5)6)28(37)27(23)35(25)17-20-13-12-19(16-22(20)30)21-10-8-9-11-24(21)40(38,39)32-29(2,3)4/h8-16,32H,7,17-18H2,1-6H3.
What are the key properties of 2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide?
2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide has a molecular weight of 567.69 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 10698239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).