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

C23H20N2OS — CID 22513772

IUPACN-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
SMILESCc1ccc2c(Sc3ccccc3)c(C(=O)NCc3ccccc3)[nH]c2c1
InChIInChI=1S/C23H20N2OS/c1-16-12-13-19-20(14-16)25-21(22(19)27-18-10-6-3-7-11-18)23(26)24-15-17-8-4-2-5-9-17/h2-14,25H,15H2,1H3,(H,24,26)
InChIKeyATLFWBJFIPKFQK-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.56
Rot. Bonds5

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

N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide (PubChem CID 22513772) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
PubChem CID22513772
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC NameN-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
SMILESCc1ccc2c(Sc3ccccc3)c(C(=O)NCc3ccccc3)[nH]c2c1
InChIInChI=1S/C23H20N2OS/c1-16-12-13-19-20(14-16)25-21(22(19)27-18-10-6-3-7-11-18)23(26)24-15-17-8-4-2-5-9-17/h2-14,25H,15H2,1H3,(H,24,26)
InChIKeyATLFWBJFIPKFQK-UHFFFAOYSA-N
XLogP5.56
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513803
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513808
3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 22513661
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
6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole
CID 138969708
N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204978
2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide
CID 90480442
3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 113204984
3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 22513700
N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 67754049
3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 113204204

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide (CID 22513772) is N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide is Cc1ccc2c(Sc3ccccc3)c(C(=O)NCc3ccccc3)[nH]c2c1.
What is the InChIKey of N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide?
The InChIKey is ATLFWBJFIPKFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-16-12-13-19-20(14-16)25-21(22(19)27-18-10-6-3-7-11-18)23(26)24-15-17-8-4-2-5-9-17/h2-14,25H,15H2,1H3,(H,24,26).
What are the key properties of N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide?
N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide is sourced from PubChem (CID 22513772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).