N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide

C23H20N2OS — CID 46328992

IUPACN-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c(Sc2ccccc2)[nH]c2ccccc12)NCc1ccccc1
InChIInChI=1S/C23H20N2OS/c26-22(24-16-17-9-3-1-4-10-17)15-20-19-13-7-8-14-21(19)25-23(20)27-18-11-5-2-6-12-18/h1-14,25H,15-16H2,(H,24,26)
InChIKeyUKCOFHUKIXFXMO-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.18
Rot. Bonds6

About N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide

N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide (PubChem CID 46328992) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide
PubChem CID46328992
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC NameN-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c(Sc2ccccc2)[nH]c2ccccc12)NCc1ccccc1
InChIInChI=1S/C23H20N2OS/c26-22(24-16-17-9-3-1-4-10-17)15-20-19-13-7-8-14-21(19)25-23(20)27-18-11-5-2-6-12-18/h1-14,25H,15-16H2,(H,24,26)
InChIKeyUKCOFHUKIXFXMO-UHFFFAOYSA-N
XLogP5.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide
CID 142736218
2-(2-phenylsulfanyl-1H-indol-3-yl)-1-piperidin-1-ylethanone
CID 46379071
2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 50822798
2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46379037
2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole
CID 102323349
2-(2-phenylsulfanyl-1H-indol-3-yl)acetonitrile
CID 177414346
N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide
CID 46379077
2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46379088
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-[2-(benzylamino)-2-oxoethyl]-3-bromo-1H-indole-2-carboxamide
CID 55818483
3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 167891211
methyl 2-[2-(benzylamino)-1H-indol-3-yl]acetate
CID 57046316

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide (CID 46328992) is N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide is O=C(Cc1c(Sc2ccccc2)[nH]c2ccccc12)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide?
The InChIKey is UKCOFHUKIXFXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c26-22(24-16-17-9-3-1-4-10-17)15-20-19-13-7-8-14-21(19)25-23(20)27-18-11-5-2-6-12-18/h1-14,25H,15-16H2,(H,24,26).
What are the key properties of N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide?
N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 46328992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).