5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide

C18H26N4O4S — CID 50802022

IUPAC5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCCN1CCOCC1)n2C
InChIInChI=1S/C18H26N4O4S/c1-20(2)27(24,25)15-4-5-16-14(12-15)13-17(21(16)3)18(23)19-6-7-22-8-10-26-11-9-22/h4-5,12-13H,6-11H2,1-3H3,(H,19,23)
InChIKeyFRQKIBQHFUUJDW-UHFFFAOYSA-N
MW394.50 g/mol
LogP0.49
Rot. Bonds6

About 5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide

5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide (PubChem CID 50802022) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
PubChem CID50802022
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCCN1CCOCC1)n2C
InChIInChI=1S/C18H26N4O4S/c1-20(2)27(24,25)15-4-5-16-14(12-15)13-17(21(16)3)18(23)19-6-7-22-8-10-26-11-9-22/h4-5,12-13H,6-11H2,1-3H3,(H,19,23)
InChIKeyFRQKIBQHFUUJDW-UHFFFAOYSA-N
XLogP0.49
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884146
1,4-dimethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110849661
4-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3242210
1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide
CID 50801822
5-[(4-tert-butylphenyl)sulfonylamino]-1-ethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 83282650
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 30534455
N,N-dimethyl-4-(2-morpholin-4-ylethylamino)benzenesulfonamide
CID 43453904
5-(diethylsulfamoyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 20967213
1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide
CID 22579716
5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide
CID 93076605
1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide
CID 50802027
5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide
CID 93076590

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide (CID 50802022) is 5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide is CN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCCN1CCOCC1)n2C.
What is the InChIKey of 5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
The InChIKey is FRQKIBQHFUUJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-20(2)27(24,25)15-4-5-16-14(12-15)13-17(21(16)3)18(23)19-6-7-22-8-10-26-11-9-22/h4-5,12-13H,6-11H2,1-3H3,(H,19,23).
What are the key properties of 5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 50802022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).