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

C22H21N5O3S — CID 2513630

IUPAC4-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C22H21N5O3S/c28-21(8-3-5-16-15-25-20-7-2-1-6-19(16)20)26-17-9-11-18(12-10-17)31(29,30)27-22-23-13-4-14-24-22/h1-2,4,6-7,9-15,25H,3,5,8H2,(H,26,28)(H,23,24,27)
InChIKeyVMUIKNLWBOGEQP-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.72
Rot. Bonds8

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

4-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 2513630) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
PubChem CID2513630
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name4-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C22H21N5O3S/c28-21(8-3-5-16-15-25-20-7-2-1-6-19(16)20)26-17-9-11-18(12-10-17)31(29,30)27-22-23-13-4-14-24-22/h1-2,4,6-7,9-15,25H,3,5,8H2,(H,26,28)(H,23,24,27)
InChIKeyVMUIKNLWBOGEQP-UHFFFAOYSA-N
XLogP3.72
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide (CID 2513630) is 4-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide is O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is VMUIKNLWBOGEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c28-21(8-3-5-16-15-25-20-7-2-1-6-19(16)20)26-17-9-11-18(12-10-17)31(29,30)27-22-23-13-4-14-24-22/h1-2,4,6-7,9-15,25H,3,5,8H2,(H,26,28)(H,23,24,27).
What are the key properties of 4-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
4-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 435.51 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 2513630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).