3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide

C24H25ClN6O3S2 — CID 58215174

IUPAC3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide
SMILESO=C(CCn1ccc2cc(Cl)ccc21)NC1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1
InChIInChI=1S/C24H25ClN6O3S2/c25-18-1-6-22-17(15-18)7-11-31(22)14-10-23(32)28-19-8-12-30(13-9-19)20-2-4-21(5-3-20)36(33,34)29-24-26-16-27-35-24/h1-7,11,15-16,19H,8-10,12-14H2,(H,28,32)(H,26,27,29)
InChIKeyWPFGIMQRCRBLIS-UHFFFAOYSA-N
MW545.09 g/mol
LogP4.12
Rot. Bonds8

About 3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide

3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide (PubChem CID 58215174) has the molecular formula C24H25ClN6O3S2 and a molecular weight of 545.09 g/mol. Its IUPAC name is 3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide
PubChem CID58215174
Molecular FormulaC24H25ClN6O3S2
Molecular Weight545.09 g/mol
Exact Mass544.11
IUPAC Name3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide
SMILESO=C(CCn1ccc2cc(Cl)ccc21)NC1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1
InChIInChI=1S/C24H25ClN6O3S2/c25-18-1-6-22-17(15-18)7-11-31(22)14-10-23(32)28-19-8-12-30(13-9-19)20-2-4-21(5-3-20)36(33,34)29-24-26-16-27-35-24/h1-7,11,15-16,19H,8-10,12-14H2,(H,28,32)(H,26,27,29)
InChIKeyWPFGIMQRCRBLIS-UHFFFAOYSA-N
XLogP4.12
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.09
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen
CID 159909017
N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 46278693
4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 159856807
N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen
CID 157439819
3-(5-chloroindol-1-yl)propanehydrazide
CID 63878514
5-chloro-1-propylindole;2-methyl-4-[4-(1,2,4-thiadiazol-5-ylamino)sulfanylphenyl]-1,4-diazepane-1-carbaldehyde
CID 143497436
N-cyclopropyl-3-(5-methoxyindol-1-yl)propanamide
CID 116619419
4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen
CID 160997067
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine
CID 63879211
3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one
CID 16659683
N-[(1S,2R)-2-methylcyclohexyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 92505046

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide (CID 58215174) is 3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide is O=C(CCn1ccc2cc(Cl)ccc21)NC1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1.
What is the InChIKey of 3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide?
The InChIKey is WPFGIMQRCRBLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O3S2/c25-18-1-6-22-17(15-18)7-11-31(22)14-10-23(32)28-19-8-12-30(13-9-19)20-2-4-21(5-3-20)36(33,34)29-24-26-16-27-35-24/h1-7,11,15-16,19H,8-10,12-14H2,(H,28,32)(H,26,27,29).
What are the key properties of 3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide?
3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide has a molecular weight of 545.09 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 58215174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).