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

C24H22N2O3S — CID 22513808

IUPAC6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2[nH]c3cc(OC)ccc3c2Sc2ccccc2)cc1
InChIInChI=1S/C24H22N2O3S/c1-28-17-10-8-16(9-11-17)15-25-24(27)22-23(30-19-6-4-3-5-7-19)20-13-12-18(29-2)14-21(20)26-22/h3-14,26H,15H2,1-2H3,(H,25,27)
InChIKeyZYDGPEPFLDJTJO-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.27
Rot. Bonds7

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

6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide (PubChem CID 22513808) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
PubChem CID22513808
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2[nH]c3cc(OC)ccc3c2Sc2ccccc2)cc1
InChIInChI=1S/C24H22N2O3S/c1-28-17-10-8-16(9-11-17)15-25-24(27)22-23(30-19-6-4-3-5-7-19)20-13-12-18(29-2)14-21(20)26-22/h3-14,26H,15H2,1-2H3,(H,25,27)
InChIKeyZYDGPEPFLDJTJO-UHFFFAOYSA-N
XLogP5.27
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513803
N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513841
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
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513815
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
2-(9H-carbazol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 163300249
methyl 3-(benzylcarbamothioylamino)-6-methoxy-1H-indole-2-carboxylate
CID 5135430
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide (CID 22513808) is 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide is COc1ccc(CNC(=O)c2[nH]c3cc(OC)ccc3c2Sc2ccccc2)cc1.
What is the InChIKey of 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide?
The InChIKey is ZYDGPEPFLDJTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-28-17-10-8-16(9-11-17)15-25-24(27)22-23(30-19-6-4-3-5-7-19)20-13-12-18(29-2)14-21(20)26-22/h3-14,26H,15H2,1-2H3,(H,25,27).
What are the key properties of 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide?
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide is sourced from PubChem (CID 22513808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).