3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

C21H19N5O3S — CID 2161504

IUPAC3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C21H19N5O3S/c27-20(11-6-15-14-24-19-5-2-1-4-18(15)19)25-16-7-9-17(10-8-16)30(28,29)26-21-22-12-3-13-23-21/h1-5,7-10,12-14,24H,6,11H2,(H,25,27)(H,22,23,26)
InChIKeyYYKGAEDBHFUANW-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.33
Rot. Bonds7

About 3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 2161504) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID2161504
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C21H19N5O3S/c27-20(11-6-15-14-24-19-5-2-1-4-18(15)19)25-16-7-9-17(10-8-16)30(28,29)26-21-22-12-3-13-23-21/h1-5,7-10,12-14,24H,6,11H2,(H,25,27)(H,22,23,26)
InChIKeyYYKGAEDBHFUANW-UHFFFAOYSA-N
XLogP3.33
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (CID 2161504) is 3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is YYKGAEDBHFUANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c27-20(11-6-15-14-24-19-5-2-1-4-18(15)19)25-16-7-9-17(10-8-16)30(28,29)26-21-22-12-3-13-23-21/h1-5,7-10,12-14,24H,6,11H2,(H,25,27)(H,22,23,26).
What are the key properties of 3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 421.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 2161504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).