5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide

C22H27N3O3S — CID 50802016

IUPAC5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCc1ccc(C)cc1)n2C
InChIInChI=1S/C22H27N3O3S/c1-5-25(6-2)29(27,28)19-11-12-20-18(13-19)14-21(24(20)4)22(26)23-15-17-9-7-16(3)8-10-17/h7-14H,5-6,15H2,1-4H3,(H,23,26)
InChIKeyLEIHPLVKPNBZRB-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.45
Rot. Bonds7

About 5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide

5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide (PubChem CID 50802016) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide
PubChem CID50802016
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCc1ccc(C)cc1)n2C
InChIInChI=1S/C22H27N3O3S/c1-5-25(6-2)29(27,28)19-11-12-20-18(13-19)14-21(24(20)4)22(26)23-15-17-9-7-16(3)8-10-17/h7-14H,5-6,15H2,1-4H3,(H,23,26)
InChIKeyLEIHPLVKPNBZRB-UHFFFAOYSA-N
XLogP3.45
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide
CID 50801966
5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide
CID 50801937
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464
N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 55559390
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55756401
3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
CID 55789645
N-butyl-1,5-dimethylindole-2-carboxamide
CID 7329072
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46597048
N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide
CID 93075951
4-(diethylsulfamoyl)-1-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 16574135
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24549148
5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 50802022

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide?
The IUPAC name of 5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide (CID 50802016) is 5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide?
The canonical SMILES for 5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCc1ccc(C)cc1)n2C.
What is the InChIKey of 5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide?
The InChIKey is LEIHPLVKPNBZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-5-25(6-2)29(27,28)19-11-12-20-18(13-19)14-21(24(20)4)22(26)23-15-17-9-7-16(3)8-10-17/h7-14H,5-6,15H2,1-4H3,(H,23,26).
What are the key properties of 5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide?
5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 50802016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).