2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide

C21H19N3O4S2 — CID 153121275

IUPAC2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
SMILESCOc1cccc2ccn(CC(=O)Nc3ccc(S(=O)(=O)Cc4nccs4)cc3)c12
InChIInChI=1S/C21H19N3O4S2/c1-28-18-4-2-3-15-9-11-24(21(15)18)13-19(25)23-16-5-7-17(8-6-16)30(26,27)14-20-22-10-12-29-20/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyVUXARANXIPHNRU-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.72
Rot. Bonds7

About 2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide

2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide (PubChem CID 153121275) has the molecular formula C21H19N3O4S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
PubChem CID153121275
Molecular FormulaC21H19N3O4S2
Molecular Weight441.53 g/mol
Exact Mass441.08
IUPAC Name2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
SMILESCOc1cccc2ccn(CC(=O)Nc3ccc(S(=O)(=O)Cc4nccs4)cc3)c12
InChIInChI=1S/C21H19N3O4S2/c1-28-18-4-2-3-15-9-11-24(21(15)18)13-19(25)23-16-5-7-17(8-6-16)30(26,27)14-20-22-10-12-29-20/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyVUXARANXIPHNRU-UHFFFAOYSA-N
XLogP3.72
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?
The IUPAC name of 2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide (CID 153121275) is 2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for 2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?
The canonical SMILES for 2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide is COc1cccc2ccn(CC(=O)Nc3ccc(S(=O)(=O)Cc4nccs4)cc3)c12.
What is the InChIKey of 2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?
The InChIKey is VUXARANXIPHNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S2/c1-28-18-4-2-3-15-9-11-24(21(15)18)13-19(25)23-16-5-7-17(8-6-16)30(26,27)14-20-22-10-12-29-20/h2-12H,13-14H2,1H3,(H,23,25).
What are the key properties of 2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?
2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide has a molecular weight of 441.53 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 153121275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).