2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane

C21H21ClN4O4S2 — CID 161290040

IUPAC2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane
SMILESC.COc1cc(Cl)c2ccn(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2c1
InChIInChI=1S/C20H17ClN4O4S2.CH4/c1-29-14-10-17(21)16-6-8-25(18(16)11-14)12-19(26)23-13-2-4-15(5-3-13)31(27,28)24-20-22-7-9-30-20;/h2-11H,12H2,1H3,(H,22,24)(H,23,26);1H4
InChIKeyVGFOJMHUWITBMW-UHFFFAOYSA-N
MW493.01 g/mol
LogP4.84
Rot. Bonds7

About 2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane

2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane (PubChem CID 161290040) has the molecular formula C21H21ClN4O4S2 and a molecular weight of 493.01 g/mol. Its IUPAC name is 2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane.

Molecular Properties

Compound Name2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane
PubChem CID161290040
Molecular FormulaC21H21ClN4O4S2
Molecular Weight493.01 g/mol
Exact Mass492.07
IUPAC Name2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane
SMILESC.COc1cc(Cl)c2ccn(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2c1
InChIInChI=1S/C20H17ClN4O4S2.CH4/c1-29-14-10-17(21)16-6-8-25(18(16)11-14)12-19(26)23-13-2-4-15(5-3-13)31(27,28)24-20-22-7-9-30-20;/h2-11H,12H2,1H3,(H,22,24)(H,23,26);1H4
InChIKeyVGFOJMHUWITBMW-UHFFFAOYSA-N
XLogP4.84
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.01
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544010
2-(5-chloro-2-methylindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544020
4-(4-methoxyphenyl)-4-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 108796477
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121064432
2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide
CID 16665833
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121051792
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25048506
2-(4-methoxyphenoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 5171518
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
2-(4-propan-2-ylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1015546
2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1291104
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 2295496

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane?
The IUPAC name of 2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane (CID 161290040) is 2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane.
What is the SMILES notation for 2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane?
The canonical SMILES for 2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane is C.COc1cc(Cl)c2ccn(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2c1.
What is the InChIKey of 2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane?
The InChIKey is VGFOJMHUWITBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O4S2.CH4/c1-29-14-10-17(21)16-6-8-25(18(16)11-14)12-19(26)23-13-2-4-15(5-3-13)31(27,28)24-20-22-7-9-30-20;/h2-11H,12H2,1H3,(H,22,24)(H,23,26);1H4.
What are the key properties of 2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane?
2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane has a molecular weight of 493.01 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane is sourced from PubChem (CID 161290040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).