(2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone

C23H25NOS — CID 7599104

IUPAC(2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
SMILESCCc1cccc2c(C(=O)[C@@H](SC3CCCC3)c3ccccc3)c[nH]c12
InChIInChI=1S/C23H25NOS/c1-2-16-11-8-14-19-20(15-24-21(16)19)22(25)23(17-9-4-3-5-10-17)26-18-12-6-7-13-18/h3-5,8-11,14-15,18,23-24H,2,6-7,12-13H2,1H3/t23-/m0/s1
InChIKeyGXFWSIOGIRYVJS-QHCPKHFHSA-N
MW363.53 g/mol
LogP6.33
Rot. Bonds6

About (2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone

(2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone (PubChem CID 7599104) has the molecular formula C23H25NOS and a molecular weight of 363.53 g/mol. Its IUPAC name is (2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
PubChem CID7599104
Molecular FormulaC23H25NOS
Molecular Weight363.53 g/mol
Exact Mass363.17
IUPAC Name(2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
SMILESCCc1cccc2c(C(=O)[C@@H](SC3CCCC3)c3ccccc3)c[nH]c12
InChIInChI=1S/C23H25NOS/c1-2-16-11-8-14-19-20(15-24-21(16)19)22(25)23(17-9-4-3-5-10-17)26-18-12-6-7-13-18/h3-5,8-11,14-15,18,23-24H,2,6-7,12-13H2,1H3/t23-/m0/s1
InChIKeyGXFWSIOGIRYVJS-QHCPKHFHSA-N
XLogP6.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.53
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-benzylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 7599064
2-[2-[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 51645649
3-[(1R)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 25384946
2-(butylamino)-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 4849520
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] (2S)-2-phenylbutanoate
CID 7811434
1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone
CID 4851610
N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide
CID 4826075
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate
CID 7718003
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate
CID 7654657
7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole
CID 101447638
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
(E)-3-(7-ethyl-1H-indol-3-yl)but-2-enoic acid
CID 76847737

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone?
The IUPAC name of (2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone (CID 7599104) is (2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone.
What is the SMILES notation for (2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone?
The canonical SMILES for (2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone is CCc1cccc2c(C(=O)[C@@H](SC3CCCC3)c3ccccc3)c[nH]c12.
What is the InChIKey of (2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone?
The InChIKey is GXFWSIOGIRYVJS-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25NOS/c1-2-16-11-8-14-19-20(15-24-21(16)19)22(25)23(17-9-4-3-5-10-17)26-18-12-6-7-13-18/h3-5,8-11,14-15,18,23-24H,2,6-7,12-13H2,1H3/t23-/m0/s1.
What are the key properties of (2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone?
(2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone has a molecular weight of 363.53 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone is sourced from PubChem (CID 7599104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).