6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide

C21H18N2O2S — CID 112522105

IUPAC6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc2ccc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C21H18N2O2S/c24-21(22-13-18-7-4-10-26-18)20-11-16-8-9-17(12-19(16)23-20)25-14-15-5-2-1-3-6-15/h1-12,23H,13-14H2,(H,22,24)
InChIKeyXLRROIAAHZKQSH-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.74
Rot. Bonds6

About 6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide

6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 112522105) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID112522105
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc2ccc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C21H18N2O2S/c24-21(22-13-18-7-4-10-26-18)20-11-16-8-9-17(12-19(16)23-20)25-14-15-5-2-1-3-6-15/h1-12,23H,13-14H2,(H,22,24)
InChIKeyXLRROIAAHZKQSH-UHFFFAOYSA-N
XLogP4.74
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521847
N-[2-(4-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529043
N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529557
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
N-(1H-imidazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112524377
N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride
CID 70214874
N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112528171
benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate
CID 38424752
N-[4-(dimethylamino)phenyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520492
N-(2,5-dimethylphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520813
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
N-(1H-benzimidazol-4-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112523091

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide (CID 112522105) is 6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide is O=C(NCc1cccs1)c1cc2ccc(OCc3ccccc3)cc2[nH]1.
What is the InChIKey of 6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is XLRROIAAHZKQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-21(22-13-18-7-4-10-26-18)20-11-16-8-9-17(12-19(16)23-20)25-14-15-5-2-1-3-6-15/h1-12,23H,13-14H2,(H,22,24).
What are the key properties of 6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide?
6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 112522105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).