2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide

C25H24ClN3O3S — CID 1458733

IUPAC2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1
InChIInChI=1S/C25H24ClN3O3S/c1-14-11-18-12-17(5-10-21(18)29(14)24(31)16-3-4-16)23-15(2)33-25(28-23)27-22(30)13-32-20-8-6-19(26)7-9-20/h5-10,12,14,16H,3-4,11,13H2,1-2H3,(H,27,28,30)/t14-/m1/s1
InChIKeyKBUWXNPQRQPPTJ-CQSZACIVSA-N
MW482.01 g/mol
LogP5.48
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide

2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 1458733) has the molecular formula C25H24ClN3O3S and a molecular weight of 482.01 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID1458733
Molecular FormulaC25H24ClN3O3S
Molecular Weight482.01 g/mol
Exact Mass481.12
IUPAC Name2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1
InChIInChI=1S/C25H24ClN3O3S/c1-14-11-18-12-17(5-10-21(18)29(14)24(31)16-3-4-16)23-15(2)33-25(28-23)27-22(30)13-32-20-8-6-19(26)7-9-20/h5-10,12,14,16H,3-4,11,13H2,1-2H3,(H,27,28,30)/t14-/m1/s1
InChIKeyKBUWXNPQRQPPTJ-CQSZACIVSA-N
XLogP5.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.01
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 1458683
2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196435
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-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196756
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197427
N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 7405771
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19172964
1-(4-chlorophenyl)-N-[4-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 2064429
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19227719
2-(2-bromophenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196888
2-(2-chlorophenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 4855744
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 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) is 2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide is Cc1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is KBUWXNPQRQPPTJ-CQSZACIVSA-N. The full InChI is InChI=1S/C25H24ClN3O3S/c1-14-11-18-12-17(5-10-21(18)29(14)24(31)16-3-4-16)23-15(2)33-25(28-23)27-22(30)13-32-20-8-6-19(26)7-9-20/h5-10,12,14,16H,3-4,11,13H2,1-2H3,(H,27,28,30)/t14-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 482.01 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1458733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).