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

C26H24N4O3S2 — CID 90448764

IUPACN-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide
SMILESCc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccncc4)sc3C)ccc21
InChIInChI=1S/C26H24N4O3S2/c1-17-5-3-4-6-23(17)35(32,33)30-14-11-20-16-21(7-8-22(20)30)25-18(2)34-26(29-25)28-24(31)15-19-9-12-27-13-10-19/h3-10,12-13,16H,11,14-15H2,1-2H3,(H,28,29,31)
InChIKeyKFOUCFAMVOWSGL-UHFFFAOYSA-N
MW504.64 g/mol
LogP4.75
Rot. Bonds6

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

N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide (PubChem CID 90448764) has the molecular formula C26H24N4O3S2 and a molecular weight of 504.64 g/mol. Its IUPAC name is N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide
PubChem CID90448764
Molecular FormulaC26H24N4O3S2
Molecular Weight504.64 g/mol
Exact Mass504.13
IUPAC NameN-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide
SMILESCc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccncc4)sc3C)ccc21
InChIInChI=1S/C26H24N4O3S2/c1-17-5-3-4-6-23(17)35(32,33)30-14-11-20-16-21(7-8-22(20)30)25-18(2)34-26(29-25)28-24(31)15-19-9-12-27-13-10-19/h3-10,12-13,16H,11,14-15H2,1-2H3,(H,28,29,31)
InChIKeyKFOUCFAMVOWSGL-UHFFFAOYSA-N
XLogP4.75
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 144711757
2-(4-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfanyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane
CID 144711601
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 3231889
2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 144711770
N-[4-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 123376871
N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 1459077
2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 170705361
1-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone
CID 110737439
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 90448485
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 16562066
2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 170705250

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide (CID 90448764) is N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide is Cc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccncc4)sc3C)ccc21.
What is the InChIKey of N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide?
The InChIKey is KFOUCFAMVOWSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S2/c1-17-5-3-4-6-23(17)35(32,33)30-14-11-20-16-21(7-8-22(20)30)25-18(2)34-26(29-25)28-24(31)15-19-9-12-27-13-10-19/h3-10,12-13,16H,11,14-15H2,1-2H3,(H,28,29,31).
What are the key properties of N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide?
N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide has a molecular weight of 504.64 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 90448764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).