2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide

C26H27N5O3S — CID 10696389

IUPAC2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide
SMILES[H]/N=C(\N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(=O)(=O)NCCC)cc3)c2c1
InChIInChI=1S/C26H27N5O3S/c1-2-13-30-35(33,34)24-6-4-3-5-21(24)17-7-10-20(11-8-17)31-25(32)15-19-16-29-23-12-9-18(26(27)28)14-22(19)23/h3-12,14,16,29-30H,2,13,15H2,1H3,(H3,27,28)(H,31,32)
InChIKeyOHOPQKAWNUVNGK-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.99
Rot. Bonds9

About 2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide

2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide (PubChem CID 10696389) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is 2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide
PubChem CID10696389
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC Name2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide
SMILES[H]/N=C(\N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(=O)(=O)NCCC)cc3)c2c1
InChIInChI=1S/C26H27N5O3S/c1-2-13-30-35(33,34)24-6-4-3-5-21(24)17-7-10-20(11-8-17)31-25(32)15-19-16-29-23-12-9-18(26(27)28)14-22(19)23/h3-12,14,16,29-30H,2,13,15H2,1H3,(H3,27,28)(H,31,32)
InChIKeyOHOPQKAWNUVNGK-UHFFFAOYSA-N
XLogP3.99
TPSA140.93 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 5326883
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CID 795532
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CID 23646208
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CID 15511974
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CID 24825382
CID 24825382
CID 10481978
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CID 18914248
CID 18914248
CID 114286451
CID 114286451
CID 10343633
CID 10343633
CID 10480373
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CID 10840852
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CID 44292838
CID 44292838

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide?
The IUPAC name of 2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide (CID 10696389) is 2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide.
What is the SMILES notation for 2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide?
The canonical SMILES for 2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide is [H]/N=C(\N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(=O)(=O)NCCC)cc3)c2c1.
What is the InChIKey of 2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide?
The InChIKey is OHOPQKAWNUVNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-2-13-30-35(33,34)24-6-4-3-5-21(24)17-7-10-20(11-8-17)31-25(32)15-19-16-29-23-12-9-18(26(27)28)14-22(19)23/h3-12,14,16,29-30H,2,13,15H2,1H3,(H3,27,28)(H,31,32).
What are the key properties of 2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide?
2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide has a molecular weight of 489.60 g/mol, XLogP of 3.99, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-[2-(propylsulfamoyl)phenyl]phenyl]acetamide is sourced from PubChem (CID 10696389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).