2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide

C30H29N3O3S — CID 90448485

IUPAC2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CC(C)N4C(=O)c3ccccc3C)c(C)s2)cc1
InChIInChI=1S/C30H29N3O3S/c1-18-7-5-6-8-25(18)29(35)33-19(2)15-23-17-22(11-14-26(23)33)28-20(3)37-30(32-28)31-27(34)16-21-9-12-24(36-4)13-10-21/h5-14,17,19H,15-16H2,1-4H3,(H,31,32,34)
InChIKeyMBYNSVJSPAUQSM-UHFFFAOYSA-N
MW511.65 g/mol
LogP6.21
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide

2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 90448485) has the molecular formula C30H29N3O3S and a molecular weight of 511.65 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID90448485
Molecular FormulaC30H29N3O3S
Molecular Weight511.65 g/mol
Exact Mass511.19
IUPAC Name2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CC(C)N4C(=O)c3ccccc3C)c(C)s2)cc1
InChIInChI=1S/C30H29N3O3S/c1-18-7-5-6-8-25(18)29(35)33-19(2)15-23-17-22(11-14-26(23)33)28-20(3)37-30(32-28)31-27(34)16-21-9-12-24(36-4)13-10-21/h5-14,17,19H,15-16H2,1-4H3,(H,31,32,34)
InChIKeyMBYNSVJSPAUQSM-UHFFFAOYSA-N
XLogP6.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.65
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[2-[2-(4-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazol-4-yl]-2-methyl-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone
CID 123847072
N-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 1458683
N-[4-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 123376871
2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 1458733
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane
CID 170705276
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-[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
2-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 41107811
2-(4-methoxyphenyl)-N-[5-methyl-4-[1-[4-[3-(trifluoromethyl)diaziridin-3-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 90448881
N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1451102
N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide
CID 90448764

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 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) is 2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is COc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CC(C)N4C(=O)c3ccccc3C)c(C)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is MBYNSVJSPAUQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3S/c1-18-7-5-6-8-25(18)29(35)33-19(2)15-23-17-22(11-14-26(23)33)28-20(3)37-30(32-28)31-27(34)16-21-9-12-24(36-4)13-10-21/h5-14,17,19H,15-16H2,1-4H3,(H,31,32,34).
What are the key properties of 2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 511.65 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 90448485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).