3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen

C23H23ClN4O3S2 — CID 159909017

IUPAC3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen
SMILESO=C(CCn1ccc2cc(Cl)ccc21)NC1Cc2ccc(S(=O)(=O)Nc3nccs3)cc2C1.[H][H]
InChIInChI=1S/C23H21ClN4O3S2.H2/c24-18-2-4-21-16(11-18)5-8-28(21)9-6-22(29)26-19-12-15-1-3-20(14-17(15)13-19)33(30,31)27-23-25-7-10-32-23;/h1-5,7-8,10-11,14,19H,6,9,12-13H2,(H,25,27)(H,26,29);1H
InChIKeyNWYBQNUGLJZGQO-UHFFFAOYSA-N
MW503.05 g/mol
LogP4.47
Rot. Bonds7

About 3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen

3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen (PubChem CID 159909017) has the molecular formula C23H23ClN4O3S2 and a molecular weight of 503.05 g/mol. Its IUPAC name is 3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen.

Molecular Properties

Compound Name3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen
PubChem CID159909017
Molecular FormulaC23H23ClN4O3S2
Molecular Weight503.05 g/mol
Exact Mass502.09
IUPAC Name3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen
SMILESO=C(CCn1ccc2cc(Cl)ccc21)NC1Cc2ccc(S(=O)(=O)Nc3nccs3)cc2C1.[H][H]
InChIInChI=1S/C23H21ClN4O3S2.H2/c24-18-2-4-21-16(11-18)5-8-28(21)9-6-22(29)26-19-12-15-1-3-20(14-17(15)13-19)33(30,31)27-23-25-7-10-32-23;/h1-5,7-8,10-11,14,19H,6,9,12-13H2,(H,25,27)(H,26,29);1H
InChIKeyNWYBQNUGLJZGQO-UHFFFAOYSA-N
XLogP4.47
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.05
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen?
The IUPAC name of 3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen (CID 159909017) is 3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen.
What is the SMILES notation for 3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen?
The canonical SMILES for 3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen is O=C(CCn1ccc2cc(Cl)ccc21)NC1Cc2ccc(S(=O)(=O)Nc3nccs3)cc2C1.[H][H].
What is the InChIKey of 3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen?
The InChIKey is NWYBQNUGLJZGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3S2.H2/c24-18-2-4-21-16(11-18)5-8-28(21)9-6-22(29)26-19-12-15-1-3-20(14-17(15)13-19)33(30,31)27-23-25-7-10-32-23;/h1-5,7-8,10-11,14,19H,6,9,12-13H2,(H,25,27)(H,26,29);1H.
What are the key properties of 3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen?
3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen has a molecular weight of 503.05 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen is sourced from PubChem (CID 159909017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).