1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide

C20H23N3O3S — CID 177140188

IUPAC1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(C)NC(=O)c2cc3ccc(C)cc3n2C)cc1
InChIInChI=1S/C20H23N3O3S/c1-13-5-6-16-12-19(23(4)18(16)11-13)20(24)22-14(2)15-7-9-17(10-8-15)27(25,26)21-3/h5-12,14,21H,1-4H3,(H,22,24)
InChIKeyITMFNXHSWQTBHZ-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.89
Rot. Bonds5

About 1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide

1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide (PubChem CID 177140188) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide
PubChem CID177140188
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(C)NC(=O)c2cc3ccc(C)cc3n2C)cc1
InChIInChI=1S/C20H23N3O3S/c1-13-5-6-16-12-19(23(4)18(16)11-13)20(24)22-14(2)15-7-9-17(10-8-15)27(25,26)21-3/h5-12,14,21H,1-4H3,(H,22,24)
InChIKeyITMFNXHSWQTBHZ-UHFFFAOYSA-N
XLogP2.89
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(1,6-dimethylindole-2-carbonyl)amino]propanoic acid
CID 110835848
6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide
CID 177140331
N-tert-butyl-1,6-dimethylindole-2-carboxamide
CID 110855330
6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide
CID 177140120
6-chloro-N-[(1S)-1-[4-(cyanomethyl)phenyl]ethyl]-1-methylindole-2-carboxamide
CID 177140014
4-(methylsulfamoyl)-N-(1-naphthalen-2-ylethyl)benzamide
CID 51220036
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
CID 51537719
1-methyl-4-(methylsulfamoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 103855918
ethyl 2-[4-[(1R)-1-[(4-chloro-1,6-dimethylindole-2-carbonyl)amino]ethyl]phenyl]sulfonylpropanoate
CID 142427689
(2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide
CID 119304077
2-methylpropyl 2-[4-[(1R)-1-[(4-chloro-1,6-dimethylindole-2-carbonyl)amino]ethyl]phenyl]sulfonylacetate
CID 142427827
6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide
CID 177139948

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide?
The IUPAC name of 1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide (CID 177140188) is 1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide is CNS(=O)(=O)c1ccc(C(C)NC(=O)c2cc3ccc(C)cc3n2C)cc1.
What is the InChIKey of 1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide?
The InChIKey is ITMFNXHSWQTBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13-5-6-16-12-19(23(4)18(16)11-13)20(24)22-14(2)15-7-9-17(10-8-15)27(25,26)21-3/h5-12,14,21H,1-4H3,(H,22,24).
What are the key properties of 1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide?
1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide is sourced from PubChem (CID 177140188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).