N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide

C20H23N3O3S — CID 34565384

IUPACN-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H23N3O3S/c1-14(2)23-27(25,26)13-17-9-4-3-8-16(17)12-21-20(24)19-11-15-7-5-6-10-18(15)22-19/h3-11,14,22-23H,12-13H2,1-2H3,(H,21,24)
InChIKeyMFPCPUWBADLJQN-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.93
Rot. Bonds7

About N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide

N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 34565384) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID34565384
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H23N3O3S/c1-14(2)23-27(25,26)13-17-9-4-3-8-16(17)12-21-20(24)19-11-15-7-5-6-10-18(15)22-19/h3-11,14,22-23H,12-13H2,1-2H3,(H,21,24)
InChIKeyMFPCPUWBADLJQN-UHFFFAOYSA-N
XLogP2.93
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide
CID 18121330
2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121288
5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 120626378
N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 34866358
1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 17405433
2-phenoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121319
N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932

Frequently Asked Questions

What is the IUPAC name of N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide (CID 34565384) is N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is MFPCPUWBADLJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-14(2)23-27(25,26)13-17-9-4-3-8-16(17)12-21-20(24)19-11-15-7-5-6-10-18(15)22-19/h3-11,14,22-23H,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide?
N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 34565384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).