4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

C25H21N3O3S2 — CID 4641538

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C25H21N3O3S2/c1-17-6-8-18(9-7-17)22-16-32-25(26-22)27-24(29)20-10-12-21(13-11-20)33(30,31)28-15-14-19-4-2-3-5-23(19)28/h2-13,16H,14-15H2,1H3,(H,26,27,29)
InChIKeyMEYYJLIVVOADOB-UHFFFAOYSA-N
MW475.60 g/mol
LogP5.12
Rot. Bonds5

About 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4641538) has the molecular formula C25H21N3O3S2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4641538
Molecular FormulaC25H21N3O3S2
Molecular Weight475.60 g/mol
Exact Mass475.10
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C25H21N3O3S2/c1-17-6-8-18(9-7-17)22-16-32-25(26-22)27-24(29)20-10-12-21(13-11-20)33(30,31)28-15-14-19-4-2-3-5-23(19)28/h2-13,16H,14-15H2,1H3,(H,26,27,29)
InChIKeyMEYYJLIVVOADOB-UHFFFAOYSA-N
XLogP5.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 4641538) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)n2)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is MEYYJLIVVOADOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S2/c1-17-6-8-18(9-7-17)22-16-32-25(26-22)27-24(29)20-10-12-21(13-11-20)33(30,31)28-15-14-19-4-2-3-5-23(19)28/h2-13,16H,14-15H2,1H3,(H,26,27,29).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 475.60 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4641538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).