N-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide

C25H25N3O3S — CID 1458683

IUPACN-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
SMILESCc1sc(NC(=O)COc2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1
InChIInChI=1S/C25H25N3O3S/c1-15-12-19-13-18(10-11-21(19)28(15)24(30)17-8-9-17)23-16(2)32-25(27-23)26-22(29)14-31-20-6-4-3-5-7-20/h3-7,10-11,13,15,17H,8-9,12,14H2,1-2H3,(H,26,27,29)/t15-/m0/s1
InChIKeyKQHQJBPLBRRTJN-HNNXBMFYSA-N
MW447.56 g/mol
LogP4.82
Rot. Bonds6

About N-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide

N-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide (PubChem CID 1458683) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
PubChem CID1458683
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC NameN-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
SMILESCc1sc(NC(=O)COc2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1
InChIInChI=1S/C25H25N3O3S/c1-15-12-19-13-18(10-11-21(19)28(15)24(30)17-8-9-17)23-16(2)32-25(27-23)26-22(29)14-31-20-6-4-3-5-7-20/h3-7,10-11,13,15,17H,8-9,12,14H2,1-2H3,(H,26,27,29)/t15-/m0/s1
InChIKeyKQHQJBPLBRRTJN-HNNXBMFYSA-N
XLogP4.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 7405771
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-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196756
2-(3-ethylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19178906
N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide
CID 170705275
[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
2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19218039
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19178456
2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196435
2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 1192500

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide (CID 1458683) is N-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide is Cc1sc(NC(=O)COc2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1.
What is the InChIKey of N-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide?
The InChIKey is KQHQJBPLBRRTJN-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-15-12-19-13-18(10-11-21(19)28(15)24(30)17-8-9-17)23-16(2)32-25(27-23)26-22(29)14-31-20-6-4-3-5-7-20/h3-7,10-11,13,15,17H,8-9,12,14H2,1-2H3,(H,26,27,29)/t15-/m0/s1.
What are the key properties of N-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide?
N-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 447.56 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 1458683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).