ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide

C28H30N4O2S2 — CID 144711591

IUPACethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
SMILESCC.Cc1ccccc1S(=O)N1CCc2cc(-c3nc(NC(=O)Cc4cccnc4)sc3C)ccc21
InChIInChI=1S/C26H24N4O2S2.C2H6/c1-17-6-3-4-8-23(17)34(32)30-13-11-20-15-21(9-10-22(20)30)25-18(2)33-26(29-25)28-24(31)14-19-7-5-12-27-16-19;1-2/h3-10,12,15-16H,11,13-14H2,1-2H3,(H,28,29,31);1-2H3
InChIKeyYYFWBWZDKZPKQD-UHFFFAOYSA-N
MW518.71 g/mol
LogP6.11
Rot. Bonds6

About ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide

ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide (PubChem CID 144711591) has the molecular formula C28H30N4O2S2 and a molecular weight of 518.71 g/mol. Its IUPAC name is ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Nameethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
PubChem CID144711591
Molecular FormulaC28H30N4O2S2
Molecular Weight518.71 g/mol
Exact Mass518.18
IUPAC Nameethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
SMILESCC.Cc1ccccc1S(=O)N1CCc2cc(-c3nc(NC(=O)Cc4cccnc4)sc3C)ccc21
InChIInChI=1S/C26H24N4O2S2.C2H6/c1-17-6-3-4-8-23(17)34(32)30-13-11-20-15-21(9-10-22(20)30)25-18(2)33-26(29-25)28-24(31)14-19-7-5-12-27-16-19;1-2/h3-10,12,15-16H,11,13-14H2,1-2H3,(H,28,29,31);1-2H3
InChIKeyYYFWBWZDKZPKQD-UHFFFAOYSA-N
XLogP6.11
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.71
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(indolin-1-ylsulfonyl)-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 4159447
N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-3-phenyl-propionamide
CID 10274130
N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]phenylacetamide
CID 10295235
N-[4-[4-(3-Methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]phenylacetamide
CID 10302380
Oxindole-Based Inhibitor 92
CID 91895644
N-[4-(1-Methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-thiazol-2-yl]-2-thiophen-2-yl-acetamide
CID 649031
N-[4-(1-Methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-thiazol-2-yl]-2-phenyl-acetamide
CID 1458486
N-[4-(1-Methanesulfonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)-thiazol-2-yl]-2-phenyl-acetamide
CID 3226519
2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)-N-(thiazol-2-yl)acetamide
CID 4111785
N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 5307678
N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 9550237
1-[4-(1-Methylindol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144368

Frequently Asked Questions

What is the IUPAC name of ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide (CID 144711591) is ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide is CC.Cc1ccccc1S(=O)N1CCc2cc(-c3nc(NC(=O)Cc4cccnc4)sc3C)ccc21.
What is the InChIKey of ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?
The InChIKey is YYFWBWZDKZPKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S2.C2H6/c1-17-6-3-4-8-23(17)34(32)30-13-11-20-15-21(9-10-22(20)30)25-18(2)33-26(29-25)28-24(31)14-19-7-5-12-27-16-19;1-2/h3-10,12,15-16H,11,13-14H2,1-2H3,(H,28,29,31);1-2H3.
What are the key properties of ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?
ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide has a molecular weight of 518.71 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 144711591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).