2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one

C18H17NOS — CID 10685305

IUPAC2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one
SMILESCc1c(SC(C)C(=O)c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C18H17NOS/c1-12-15-10-6-7-11-16(15)19-18(12)21-13(2)17(20)14-8-4-3-5-9-14/h3-11,13,19H,1-2H3
InChIKeyOPYUBIIEPAZAPT-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.84
Rot. Bonds4

About 2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one

2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one (PubChem CID 10685305) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one
PubChem CID10685305
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one
SMILESCc1c(SC(C)C(=O)c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C18H17NOS/c1-12-15-10-6-7-11-16(15)19-18(12)21-13(2)17(20)14-8-4-3-5-9-14/h3-11,13,19H,1-2H3
InChIKeyOPYUBIIEPAZAPT-UHFFFAOYSA-N
XLogP4.84
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenylpropan-1-one
CID 134066880
1-phenyl-2-propan-2-ylsulfanylpropan-1-one
CID 60885385
2-[(1-oxo-1-phenylpropan-2-yl)tetrasulfanyl]-1-phenylpropan-1-one
CID 101130768
S-(1-oxo-1-phenylpropan-2-yl) ethanethioate
CID 121219980
1-phenyl-2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-one;hydrochloride
CID 11772200
2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid
CID 96619133
2-[(2-phenyl-1H-indol-3-yl)sulfanyl]propanoic acid
CID 71364656
2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one
CID 43411864
benzoic acid;9H-carbazole
CID 162147282
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 7600434
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylpropan-1-one
CID 55640345
9H-carbazole;carbonic acid
CID 67577328

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one?
The IUPAC name of 2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one (CID 10685305) is 2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one?
The canonical SMILES for 2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one is Cc1c(SC(C)C(=O)c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one?
The InChIKey is OPYUBIIEPAZAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-12-15-10-6-7-11-16(15)19-18(12)21-13(2)17(20)14-8-4-3-5-9-14/h3-11,13,19H,1-2H3.
What are the key properties of 2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one?
2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one has a molecular weight of 295.41 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one is sourced from PubChem (CID 10685305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).