2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide

C23H23N7O4S2 — CID 59136138

IUPAC2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1ccccc1S(=O)(=O)N(C)c1cccc2cc(C3=NCC(CC(=O)Nc4ncn[nH]4)S3)[nH]c12
InChIInChI=1S/C23H23N7O4S2/c1-30(36(32,33)19-9-4-3-8-18(19)34-2)17-7-5-6-14-10-16(27-21(14)17)22-24-12-15(35-22)11-20(31)28-23-25-13-26-29-23/h3-10,13,15,27H,11-12H2,1-2H3,(H2,25,26,28,29,31)
InChIKeyGEIBSRKAMCVAHL-UHFFFAOYSA-N
MW525.62 g/mol
LogP3.01
Rot. Bonds8

About 2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide

2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 59136138) has the molecular formula C23H23N7O4S2 and a molecular weight of 525.62 g/mol. Its IUPAC name is 2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID59136138
Molecular FormulaC23H23N7O4S2
Molecular Weight525.62 g/mol
Exact Mass525.13
IUPAC Name2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1ccccc1S(=O)(=O)N(C)c1cccc2cc(C3=NCC(CC(=O)Nc4ncn[nH]4)S3)[nH]c12
InChIInChI=1S/C23H23N7O4S2/c1-30(36(32,33)19-9-4-3-8-18(19)34-2)17-7-5-6-14-10-16(27-21(14)17)22-24-12-15(35-22)11-20(31)28-23-25-13-26-29-23/h3-10,13,15,27H,11-12H2,1-2H3,(H2,25,26,28,29,31)
InChIKeyGEIBSRKAMCVAHL-UHFFFAOYSA-N
XLogP3.01
TPSA145.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.62
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide with MolForge

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Related Compounds

(2S)-1-[2-[2-[7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 59135632
ethyl 2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
CID 57476282
N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 89040289
N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide
CID 59135819
2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide
CID 44516555
N-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 57476413
N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 59135845
2-[[7-[methyl(pyridin-2-ylsulfonyl)amino]-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-5-yl]oxy]butanoic acid
CID 68667921
N-[2-[5-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-5-(3-methylperoxysulfanylpropoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 59136079
2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide
CID 67119182
N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 89040216
ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide
CID 143660797

Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 59136138) is 2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide is COc1ccccc1S(=O)(=O)N(C)c1cccc2cc(C3=NCC(CC(=O)Nc4ncn[nH]4)S3)[nH]c12.
What is the InChIKey of 2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is GEIBSRKAMCVAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O4S2/c1-30(36(32,33)19-9-4-3-8-18(19)34-2)17-7-5-6-14-10-16(27-21(14)17)22-24-12-15(35-22)11-20(31)28-23-25-13-26-29-23/h3-10,13,15,27H,11-12H2,1-2H3,(H2,25,26,28,29,31).
What are the key properties of 2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 525.62 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-[(2-methoxyphenyl)sulfonyl-methylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 59136138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).