N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide

C25H24N2O3S — CID 22513841

IUPACN-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2[nH]c3cc(OC)ccc3c2Sc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-3-30-18-11-9-17(10-12-18)16-26-25(28)23-24(31-20-7-5-4-6-8-20)21-14-13-19(29-2)15-22(21)27-23/h4-15,27H,3,16H2,1-2H3,(H,26,28)
InChIKeyXYDMLXVTROKIED-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.66
Rot. Bonds8

About N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide

N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide (PubChem CID 22513841) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
PubChem CID22513841
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2[nH]c3cc(OC)ccc3c2Sc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-3-30-18-11-9-17(10-12-18)16-26-25(28)23-24(31-20-7-5-4-6-8-20)21-14-13-19(29-2)15-22(21)27-23/h4-15,27H,3,16H2,1-2H3,(H,26,28)
InChIKeyXYDMLXVTROKIED-UHFFFAOYSA-N
XLogP5.66
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513808
N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513803
6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 22513802
N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513772
3-[[(4-ethoxyphenyl)methylamino]methyl]-6-methoxy-1H-indole-2-carboxylic acid
CID 53208750
6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513815
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 11690230
6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 113205416
[6-[[(2,4-dimethoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate
CID 67174835
methyl 3-(benzylcarbamothioylamino)-6-methoxy-1H-indole-2-carboxylate
CID 5135430
2-(9H-carbazol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 163300249

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide (CID 22513841) is N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide is CCOc1ccc(CNC(=O)c2[nH]c3cc(OC)ccc3c2Sc2ccccc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide?
The InChIKey is XYDMLXVTROKIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-3-30-18-11-9-17(10-12-18)16-26-25(28)23-24(31-20-7-5-4-6-8-20)21-14-13-19(29-2)15-22(21)27-23/h4-15,27H,3,16H2,1-2H3,(H,26,28).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide?
N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide is sourced from PubChem (CID 22513841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).