N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide

C23H20N2O2S — CID 22513803

IUPACN-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
SMILESCOc1ccc2c(Sc3ccccc3)c(C(=O)NCc3ccccc3)[nH]c2c1
InChIInChI=1S/C23H20N2O2S/c1-27-17-12-13-19-20(14-17)25-21(22(19)28-18-10-6-3-7-11-18)23(26)24-15-16-8-4-2-5-9-16/h2-14,25H,15H2,1H3,(H,24,26)
InChIKeyMNANRYLPCWBXJT-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.26
Rot. Bonds6

About N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide

N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide (PubChem CID 22513803) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
PubChem CID22513803
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
SMILESCOc1ccc2c(Sc3ccccc3)c(C(=O)NCc3ccccc3)[nH]c2c1
InChIInChI=1S/C23H20N2O2S/c1-27-17-12-13-19-20(14-17)25-21(22(19)28-18-10-6-3-7-11-18)23(26)24-15-16-8-4-2-5-9-16/h2-14,25H,15H2,1H3,(H,24,26)
InChIKeyMNANRYLPCWBXJT-UHFFFAOYSA-N
XLogP5.26
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513808
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-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513815
6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 11690230
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513831
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 113205416
methyl 3-(benzylcarbamothioylamino)-6-methoxy-1H-indole-2-carboxylate
CID 5135430
3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 22513661
[6-[[(2,4-dimethoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate
CID 67174835

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide (CID 22513803) is N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide is COc1ccc2c(Sc3ccccc3)c(C(=O)NCc3ccccc3)[nH]c2c1.
What is the InChIKey of N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide?
The InChIKey is MNANRYLPCWBXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-27-17-12-13-19-20(14-17)25-21(22(19)28-18-10-6-3-7-11-18)23(26)24-15-16-8-4-2-5-9-16/h2-14,25H,15H2,1H3,(H,24,26).
What are the key properties of N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide?
N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide is sourced from PubChem (CID 22513803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).