N-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide

C18H18N2OS — CID 589161

IUPACN-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide
SMILESCNC(=O)CCc1[nH]c2ccccc2c1Sc1ccccc1
InChIInChI=1S/C18H18N2OS/c1-19-17(21)12-11-16-18(22-13-7-3-2-4-8-13)14-9-5-6-10-15(14)20-16/h2-10,20H,11-12H2,1H3,(H,19,21)
InChIKeyZURXOBSMBKQQNE-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.00
Rot. Bonds5

About N-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide

N-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide (PubChem CID 589161) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is N-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide
PubChem CID589161
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC NameN-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide
SMILESCNC(=O)CCc1[nH]c2ccccc2c1Sc1ccccc1
InChIInChI=1S/C18H18N2OS/c1-19-17(21)12-11-16-18(22-13-7-3-2-4-8-13)14-9-5-6-10-15(14)20-16/h2-10,20H,11-12H2,1H3,(H,19,21)
InChIKeyZURXOBSMBKQQNE-UHFFFAOYSA-N
XLogP4.00
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide?
The IUPAC name of N-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide (CID 589161) is N-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide.
What is the SMILES notation for N-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide?
The canonical SMILES for N-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide is CNC(=O)CCc1[nH]c2ccccc2c1Sc1ccccc1.
What is the InChIKey of N-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide?
The InChIKey is ZURXOBSMBKQQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-19-17(21)12-11-16-18(22-13-7-3-2-4-8-13)14-9-5-6-10-15(14)20-16/h2-10,20H,11-12H2,1H3,(H,19,21).
What are the key properties of N-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide?
N-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide has a molecular weight of 310.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide is sourced from PubChem (CID 589161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).