4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide

C21H25N3O3S2 — CID 2156407

IUPAC4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCSc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H25N3O3S2/c1-3-24(4-2)29(26,27)17-11-9-16(10-12-17)21(25)22-13-14-28-20-15-23-19-8-6-5-7-18(19)20/h5-12,15,23H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyFMOUEYCXYJOECX-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.72
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide

4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide (PubChem CID 2156407) has the molecular formula C21H25N3O3S2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide
PubChem CID2156407
Molecular FormulaC21H25N3O3S2
Molecular Weight431.58 g/mol
Exact Mass431.13
IUPAC Name4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCSc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H25N3O3S2/c1-3-24(4-2)29(26,27)17-11-9-16(10-12-17)21(25)22-13-14-28-20-15-23-19-8-6-5-7-18(19)20/h5-12,15,23H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyFMOUEYCXYJOECX-UHFFFAOYSA-N
XLogP3.72
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446276
(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446277
N-(4-(Phenylsulfonyl)benzyl)-1h-Pyrrolo[3,2-C]pyridine-2-Carboxamide
CID 66609622
N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}indolizine-7-Carboxamide
CID 76401548
9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
CID 137400227
(E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide
CID 118712708
N-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155558268
N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 2571989
N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 17453466
N-{(Z)-1-[2-(1H-Indol-3-yl)-ethylcarbamoyl]-2-thiophen-2-yl-vinyl}-4-methyl-benzamide
CID 6509573
S-[2-[4-(1H-indol-5-ylsulfonylamino)phenyl]-2-oxoethyl] ethanethioate
CID 11560153
S-[2-[4-(1H-indol-6-ylsulfonylamino)phenyl]-2-oxoethyl] ethanethioate
CID 17754279

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide (CID 2156407) is 4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCSc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide?
The InChIKey is FMOUEYCXYJOECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S2/c1-3-24(4-2)29(26,27)17-11-9-16(10-12-17)21(25)22-13-14-28-20-15-23-19-8-6-5-7-18(19)20/h5-12,15,23H,3-4,13-14H2,1-2H3,(H,22,25).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide?
4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide has a molecular weight of 431.58 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 2156407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).