1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide

C26H21N3O2S — CID 59513975

IUPAC1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide
SMILESO=C(Nc1nccs1)c1cn(Cc2ccccc2)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C26H21N3O2S/c30-25(28-26-27-13-14-32-26)23-17-29(16-19-7-3-1-4-8-19)24-12-11-21(15-22(23)24)31-18-20-9-5-2-6-10-20/h1-15,17H,16,18H2,(H,27,28,30)
InChIKeyKVGSPBOXRCQFNR-UHFFFAOYSA-N
MW439.54 g/mol
LogP5.98
Rot. Bonds7

About 1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide

1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide (PubChem CID 59513975) has the molecular formula C26H21N3O2S and a molecular weight of 439.54 g/mol. Its IUPAC name is 1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide
PubChem CID59513975
Molecular FormulaC26H21N3O2S
Molecular Weight439.54 g/mol
Exact Mass439.14
IUPAC Name1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide
SMILESO=C(Nc1nccs1)c1cn(Cc2ccccc2)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C26H21N3O2S/c30-25(28-26-27-13-14-32-26)23-17-29(16-19-7-3-1-4-8-19)24-12-11-21(15-22(23)24)31-18-20-9-5-2-6-10-20/h1-15,17H,16,18H2,(H,27,28,30)
InChIKeyKVGSPBOXRCQFNR-UHFFFAOYSA-N
XLogP5.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The IUPAC name of 1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide (CID 59513975) is 1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The canonical SMILES for 1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide is O=C(Nc1nccs1)c1cn(Cc2ccccc2)c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The InChIKey is KVGSPBOXRCQFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2S/c30-25(28-26-27-13-14-32-26)23-17-29(16-19-7-3-1-4-8-19)24-12-11-21(15-22(23)24)31-18-20-9-5-2-6-10-20/h1-15,17H,16,18H2,(H,27,28,30).
What are the key properties of 1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide is sourced from PubChem (CID 59513975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).