N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide

C22H27N3O3S — CID 26759503

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)ccc1C
InChIInChI=1S/C22H27N3O3S/c1-6-25(7-2)29(27,28)21-13-18(10-8-14(21)3)24-22(26)17-9-11-20-19(12-17)15(4)16(5)23-20/h8-13,23H,6-7H2,1-5H3,(H,24,26)
InChIKeyKHCJXCUCWCCESA-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.38
Rot. Bonds6

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 26759503) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID26759503
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)ccc1C
InChIInChI=1S/C22H27N3O3S/c1-6-25(7-2)29(27,28)21-13-18(10-8-14(21)3)24-22(26)17-9-11-20-19(12-17)15(4)16(5)23-20/h8-13,23H,6-7H2,1-5H3,(H,24,26)
InChIKeyKHCJXCUCWCCESA-UHFFFAOYSA-N
XLogP4.38
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide
CID 9101706
4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 18205717
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 34745053
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 30880575
N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide
CID 39849550

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 26759503) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is KHCJXCUCWCCESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-6-25(7-2)29(27,28)21-13-18(10-8-14(21)3)24-22(26)17-9-11-20-19(12-17)15(4)16(5)23-20/h8-13,23H,6-7H2,1-5H3,(H,24,26).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 26759503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).