N-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide

C19H20N4O3S — CID 55470772

IUPACN-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
SMILESN#CCCN(C(=O)CN1CCc2cc(S(N)(=O)=O)ccc21)c1ccccc1
InChIInChI=1S/C19H20N4O3S/c20-10-4-11-23(16-5-2-1-3-6-16)19(24)14-22-12-9-15-13-17(27(21,25)26)7-8-18(15)22/h1-3,5-8,13H,4,9,11-12,14H2,(H2,21,25,26)
InChIKeyWIWYQZPMIAGYCF-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.64
Rot. Bonds6

About N-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide

N-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide (PubChem CID 55470772) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
PubChem CID55470772
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
SMILESN#CCCN(C(=O)CN1CCc2cc(S(N)(=O)=O)ccc21)c1ccccc1
InChIInChI=1S/C19H20N4O3S/c20-10-4-11-23(16-5-2-1-3-6-16)19(24)14-22-12-9-15-13-17(27(21,25)26)7-8-18(15)22/h1-3,5-8,13H,4,9,11-12,14H2,(H2,21,25,26)
InChIKeyWIWYQZPMIAGYCF-UHFFFAOYSA-N
XLogP1.64
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide
CID 17407716
1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913237
1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 17398357
N-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
CID 60504798
N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 134001832
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 36943943
1-(4-cyanobutyl)-2,3-dihydroindole-6-sulfonamide
CID 71986862
[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate
CID 42900205
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide
CID 28917333
1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 71943822
N-(2-propoxyphenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
CID 24568564

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide (CID 55470772) is N-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide is N#CCCN(C(=O)CN1CCc2cc(S(N)(=O)=O)ccc21)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
The InChIKey is WIWYQZPMIAGYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c20-10-4-11-23(16-5-2-1-3-6-16)19(24)14-22-12-9-15-13-17(27(21,25)26)7-8-18(15)22/h1-3,5-8,13H,4,9,11-12,14H2,(H2,21,25,26).
What are the key properties of N-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
N-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 55470772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).