2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

C24H25ClN2O5S — CID 2574385

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O5S/c1-15-19(13-22(28)26-24(2)10-11-33(30,31)14-24)20-12-18(32-3)8-9-21(20)27(15)23(29)16-4-6-17(25)7-5-16/h4-9,12H,10-11,13-14H2,1-3H3,(H,26,28)/t24-/m1/s1
InChIKeyLHBBKCLSQMCFTL-XMMPIXPASA-N
MW488.99 g/mol
LogP3.54
Rot. Bonds5

About 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 2574385) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
PubChem CID2574385
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O5S/c1-15-19(13-22(28)26-24(2)10-11-33(30,31)14-24)20-12-18(32-3)8-9-21(20)27(15)23(29)16-4-6-17(25)7-5-16/h4-9,12H,10-11,13-14H2,1-3H3,(H,26,28)/t24-/m1/s1
InChIKeyLHBBKCLSQMCFTL-XMMPIXPASA-N
XLogP3.54
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 4090966
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methylsulfonylacetamide
CID 12658319
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclopentylacetamide
CID 1265009
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethylcarbamic acid
CID 66813186
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 7935529
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 24825528
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-methoxypropyl)acetamide
CID 27556066
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 6916018
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 166450376
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
(2S)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]propanamide;ethane
CID 143546057

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 2574385) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is COc1ccc2c(c1)c(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is LHBBKCLSQMCFTL-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-15-19(13-22(28)26-24(2)10-11-33(30,31)14-24)20-12-18(32-3)8-9-21(20)27(15)23(29)16-4-6-17(25)7-5-16/h4-9,12H,10-11,13-14H2,1-3H3,(H,26,28)/t24-/m1/s1.
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 488.99 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 2574385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).