N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide

C22H27N3O4S — CID 26369530

IUPACN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C22H27N3O4S/c1-5-25(6-2)30(27,28)21-14-16(12-13-20(21)29-7-3)23-22(26)18-15-24(4)19-11-9-8-10-17(18)19/h8-15H,5-7H2,1-4H3,(H,23,26)
InChIKeyLSJQLQQWIKZCFQ-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.86
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide (PubChem CID 26369530) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide
PubChem CID26369530
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C22H27N3O4S/c1-5-25(6-2)30(27,28)21-14-16(12-13-20(21)29-7-3)23-22(26)18-15-24(4)19-11-9-8-10-17(18)19/h8-15H,5-7H2,1-4H3,(H,23,26)
InChIKeyLSJQLQQWIKZCFQ-UHFFFAOYSA-N
XLogP3.86
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide
CID 24559888
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide
CID 55606313
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 9224063
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 51135581
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 43000493
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide (CID 26369530) is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide is CCOc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide?
The InChIKey is LSJQLQQWIKZCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-5-25(6-2)30(27,28)21-14-16(12-13-20(21)29-7-3)23-22(26)18-15-24(4)19-11-9-8-10-17(18)19/h8-15H,5-7H2,1-4H3,(H,23,26).
What are the key properties of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide?
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 26369530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).