N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide

C26H27ClN4O6S2 — CID 172630093

IUPACN-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
SMILESCOc1cc2ncc(-c3cc(NC(=O)Cc4ccccc4Cl)cc(S(N)(=O)=O)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C26H27ClN4O6S2/c1-26(2,3)38(33,34)23-15-31-21(14-29-24(31)13-22(23)37-4)17-9-18(12-19(10-17)39(28,35)36)30-25(32)11-16-7-5-6-8-20(16)27/h5-10,12-15H,11H2,1-4H3,(H,30,32)(H2,28,35,36)
InChIKeyHXVQGKCPACIFIZ-UHFFFAOYSA-N
MW591.11 g/mol
LogP4.06
Rot. Bonds7

About N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide

N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide (PubChem CID 172630093) has the molecular formula C26H27ClN4O6S2 and a molecular weight of 591.11 g/mol. Its IUPAC name is N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
PubChem CID172630093
Molecular FormulaC26H27ClN4O6S2
Molecular Weight591.11 g/mol
Exact Mass590.11
IUPAC NameN-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
SMILESCOc1cc2ncc(-c3cc(NC(=O)Cc4ccccc4Cl)cc(S(N)(=O)=O)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C26H27ClN4O6S2/c1-26(2,3)38(33,34)23-15-31-21(14-29-24(31)13-22(23)37-4)17-9-18(12-19(10-17)39(28,35)36)30-25(32)11-16-7-5-6-8-20(16)27/h5-10,12-15H,11H2,1-4H3,(H,30,32)(H2,28,35,36)
InChIKeyHXVQGKCPACIFIZ-UHFFFAOYSA-N
XLogP4.06
TPSA149.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.11
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide
CID 172631453
2-(2-chlorophenyl)-N-[3-(5-chloro-3-pyridinyl)-5-sulfamoylphenyl]acetamide
CID 134588591
2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide
CID 134588333
2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572293
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide
CID 178093984
methyl 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazole-5-carboxylate
CID 172630977
2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572300
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine
CID 172631077
6-tert-butylsulfonyl-7-methoxy-N-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide;4-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine
CID 157266004
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide
CID 178094096
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide (CID 172630093) is N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide is COc1cc2ncc(-c3cc(NC(=O)Cc4ccccc4Cl)cc(S(N)(=O)=O)c3)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is HXVQGKCPACIFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O6S2/c1-26(2,3)38(33,34)23-15-31-21(14-29-24(31)13-22(23)37-4)17-9-18(12-19(10-17)39(28,35)36)30-25(32)11-16-7-5-6-8-20(16)27/h5-10,12-15H,11H2,1-4H3,(H,30,32)(H2,28,35,36).
What are the key properties of N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide?
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 591.11 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 172630093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).