5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide

C24H31N3O6S — CID 50801966

IUPAC5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCc1cc(OC)c(OC)c(OC)c1)n2C
InChIInChI=1S/C24H31N3O6S/c1-7-27(8-2)34(29,30)18-9-10-19-17(13-18)14-20(26(19)3)24(28)25-15-16-11-21(31-4)23(33-6)22(12-16)32-5/h9-14H,7-8,15H2,1-6H3,(H,25,28)
InChIKeyGMOBMGDAXYTEEB-UHFFFAOYSA-N
MW489.59 g/mol
LogP3.16
Rot. Bonds10

About 5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide

5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide (PubChem CID 50801966) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide
PubChem CID50801966
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC Name5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCc1cc(OC)c(OC)c(OC)c1)n2C
InChIInChI=1S/C24H31N3O6S/c1-7-27(8-2)34(29,30)18-9-10-19-17(13-18)14-20(26(19)3)24(28)25-15-16-11-21(31-4)23(33-6)22(12-16)32-5/h9-14H,7-8,15H2,1-6H3,(H,25,28)
InChIKeyGMOBMGDAXYTEEB-UHFFFAOYSA-N
XLogP3.16
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide
CID 50802016
5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide
CID 50801937
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide
CID 50801779
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942
4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
2-[4-(diethylsulfamoyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28554472
methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate
CID 55650630
4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 26445094
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 40606681
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 53064197
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55756401

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide?
The IUPAC name of 5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide (CID 50801966) is 5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide?
The canonical SMILES for 5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCc1cc(OC)c(OC)c(OC)c1)n2C.
What is the InChIKey of 5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide?
The InChIKey is GMOBMGDAXYTEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-7-27(8-2)34(29,30)18-9-10-19-17(13-18)14-20(26(19)3)24(28)25-15-16-11-21(31-4)23(33-6)22(12-16)32-5/h9-14H,7-8,15H2,1-6H3,(H,25,28).
What are the key properties of 5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide?
5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide has a molecular weight of 489.59 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 50801966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).