2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C20H19ClN4O3S2 — CID 89135386

IUPAC2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N1C=CC2C=CC(Cl)=CC21
InChIInChI=1S/C20H19ClN4O3S2/c1-13(25-10-8-14-2-3-15(21)12-18(14)25)19(26)23-16-4-6-17(7-5-16)30(27,28)24-20-22-9-11-29-20/h2-14,18H,1H3,(H,22,24)(H,23,26)
InChIKeyCSZWYGFLATXNEA-UHFFFAOYSA-N
MW462.98 g/mol
LogP3.78
Rot. Bonds6

About 2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 89135386) has the molecular formula C20H19ClN4O3S2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID89135386
Molecular FormulaC20H19ClN4O3S2
Molecular Weight462.98 g/mol
Exact Mass462.06
IUPAC Name2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N1C=CC2C=CC(Cl)=CC21
InChIInChI=1S/C20H19ClN4O3S2/c1-13(25-10-8-14-2-3-15(21)12-18(14)25)19(26)23-16-4-6-17(7-5-16)30(27,28)24-20-22-9-11-29-20/h2-14,18H,1H3,(H,22,24)(H,23,26)
InChIKeyCSZWYGFLATXNEA-UHFFFAOYSA-N
XLogP3.78
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 40964488
ethane;4-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 90981855
3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19570318
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 94016494
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
CID 25044879
2-(4-ethoxyphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53267177
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19532722
4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 25041464
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 93486819
(2S)-2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 42561538
4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 89135386) is 2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N1C=CC2C=CC(Cl)=CC21.
What is the InChIKey of 2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is CSZWYGFLATXNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S2/c1-13(25-10-8-14-2-3-15(21)12-18(14)25)19(26)23-16-4-6-17(7-5-16)30(27,28)24-20-22-9-11-29-20/h2-14,18H,1H3,(H,22,24)(H,23,26).
What are the key properties of 2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 462.98 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3a,7a-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 89135386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).