2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C20H19ClN4O3S2 — CID 66908506

IUPAC2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)NC2=NCCS2)cc1)n1ccc2cccc(Cl)c21
InChIInChI=1S/C20H19ClN4O3S2/c1-13(25-11-9-14-3-2-4-17(21)18(14)25)19(26)23-15-5-7-16(8-6-15)30(27,28)24-20-22-10-12-29-20/h2-9,11,13H,10,12H2,1H3,(H,22,24)(H,23,26)
InChIKeyPCAKIPPSJLWMGW-UHFFFAOYSA-N
MW462.98 g/mol
LogP3.88
Rot. Bonds5

About 2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 66908506) has the molecular formula C20H19ClN4O3S2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID66908506
Molecular FormulaC20H19ClN4O3S2
Molecular Weight462.98 g/mol
Exact Mass462.06
IUPAC Name2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)NC2=NCCS2)cc1)n1ccc2cccc(Cl)c21
InChIInChI=1S/C20H19ClN4O3S2/c1-13(25-11-9-14-3-2-4-17(21)18(14)25)19(26)23-15-5-7-16(8-6-15)30(27,28)24-20-22-10-12-29-20/h2-9,11,13H,10,12H2,1H3,(H,22,24)(H,23,26)
InChIKeyPCAKIPPSJLWMGW-UHFFFAOYSA-N
XLogP3.88
TPSA92.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide
CID 156601231
2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 103475166
methyl 2-(7-chloroindol-1-yl)propanoate
CID 103474207
4-[(3-chloro-2-hydroxypropyl)amino]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
CID 168639882
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide
CID 70999018
(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9454335
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25038009
methyl N-[4-[[(2S)-2-(6-chloroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate
CID 25117821
2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 19533592
methyl N-[4-[2-(4-chloro-2-methylphenoxy)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate;methyl N-[4-[[(2R)-2-(7-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen
CID 158061657
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 25042188
N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 66908506) is 2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is CC(C(=O)Nc1ccc(S(=O)(=O)NC2=NCCS2)cc1)n1ccc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is PCAKIPPSJLWMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S2/c1-13(25-11-9-14-3-2-4-17(21)18(14)25)19(26)23-15-5-7-16(8-6-15)30(27,28)24-20-22-10-12-29-20/h2-9,11,13H,10,12H2,1H3,(H,22,24)(H,23,26).
What are the key properties of 2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 462.98 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 66908506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).