N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide

C20H21FN2OS — CID 46379077

IUPACN-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide
SMILESCCC(C)NC(=O)Cc1c(Sc2cccc(F)c2)[nH]c2ccccc12
InChIInChI=1S/C20H21FN2OS/c1-3-13(2)22-19(24)12-17-16-9-4-5-10-18(16)23-20(17)25-15-8-6-7-14(21)11-15/h4-11,13,23H,3,12H2,1-2H3,(H,22,24)
InChIKeyJJLVRAXIOQMXOL-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.92
Rot. Bonds6

About N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide

N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide (PubChem CID 46379077) has the molecular formula C20H21FN2OS and a molecular weight of 356.47 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide
PubChem CID46379077
Molecular FormulaC20H21FN2OS
Molecular Weight356.47 g/mol
Exact Mass356.14
IUPAC NameN-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide
SMILESCCC(C)NC(=O)Cc1c(Sc2cccc(F)c2)[nH]c2ccccc12
InChIInChI=1S/C20H21FN2OS/c1-3-13(2)22-19(24)12-17-16-9-4-5-10-18(16)23-20(17)25-15-8-6-7-14(21)11-15/h4-11,13,23H,3,12H2,1-2H3,(H,22,24)
InChIKeyJJLVRAXIOQMXOL-UHFFFAOYSA-N
XLogP4.92
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46379088
3-[2-(butan-2-ylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 3573688
ethyl 1-[2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetyl]piperidine-3-carboxylate
CID 46379091
ethyl (3R)-1-[2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetyl]piperidine-3-carboxylate
CID 92880499
N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 129394583
N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide
CID 46328992
N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 55412331
N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798
4-(3-fluorophenyl)sulfanyl-1H-quinolin-2-one
CID 143635572
2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46379037
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
3-[2-(butan-2-ylamino)-2-oxoethyl]-1-benzothiophene-2-carboxylic acid
CID 82364868

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide (CID 46379077) is N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide is CCC(C)NC(=O)Cc1c(Sc2cccc(F)c2)[nH]c2ccccc12.
What is the InChIKey of N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide?
The InChIKey is JJLVRAXIOQMXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2OS/c1-3-13(2)22-19(24)12-17-16-9-4-5-10-18(16)23-20(17)25-15-8-6-7-14(21)11-15/h4-11,13,23H,3,12H2,1-2H3,(H,22,24).
What are the key properties of N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide?
N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide is sourced from PubChem (CID 46379077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).