N-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide

C22H27N5O4S — CID 90983824

IUPACN-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide
SMILESCNS(=O)(=O)c1ccc2[nH]c(O)c(C3=CCc4c3[nH]c(C)c4C(=O)NCCN(C)C)c2c1
InChIInChI=1S/C22H27N5O4S/c1-12-18(21(28)24-9-10-27(3)4)14-6-7-15(20(14)25-12)19-16-11-13(32(30,31)23-2)5-8-17(16)26-22(19)29/h5,7-8,11,23,25-26,29H,6,9-10H2,1-4H3,(H,24,28)
InChIKeyGZIKTPLOCZJOJI-UHFFFAOYSA-N
MW457.56 g/mol
LogP1.70
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide

N-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide (PubChem CID 90983824) has the molecular formula C22H27N5O4S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide
PubChem CID90983824
Molecular FormulaC22H27N5O4S
Molecular Weight457.56 g/mol
Exact Mass457.18
IUPAC NameN-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide
SMILESCNS(=O)(=O)c1ccc2[nH]c(O)c(C3=CCc4c3[nH]c(C)c4C(=O)NCCN(C)C)c2c1
InChIInChI=1S/C22H27N5O4S/c1-12-18(21(28)24-9-10-27(3)4)14-6-7-15(20(14)25-12)19-16-11-13(32(30,31)23-2)5-8-17(16)26-22(19)29/h5,7-8,11,23,25-26,29H,6,9-10H2,1-4H3,(H,24,28)
InChIKeyGZIKTPLOCZJOJI-UHFFFAOYSA-N
XLogP1.70
TPSA130.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 51.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide (CID 90983824) is N-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide is CNS(=O)(=O)c1ccc2[nH]c(O)c(C3=CCc4c3[nH]c(C)c4C(=O)NCCN(C)C)c2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide?
The InChIKey is GZIKTPLOCZJOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S/c1-12-18(21(28)24-9-10-27(3)4)14-6-7-15(20(14)25-12)19-16-11-13(32(30,31)23-2)5-8-17(16)26-22(19)29/h5,7-8,11,23,25-26,29H,6,9-10H2,1-4H3,(H,24,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 1.70, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxamide is sourced from PubChem (CID 90983824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).