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

C19H20N2O2S — CID 630962

IUPACN-(2-hydroxyethyl)-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide
SMILESO=C(CCc1[nH]c2ccccc2c1Sc1ccccc1)NCCO
InChIInChI=1S/C19H20N2O2S/c22-13-12-20-18(23)11-10-17-19(24-14-6-2-1-3-7-14)15-8-4-5-9-16(15)21-17/h1-9,21-22H,10-13H2,(H,20,23)
InChIKeyPCKHDGQBSIIPJS-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.36
Rot. Bonds7

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

N-(2-hydroxyethyl)-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide (PubChem CID 630962) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide
PubChem CID630962
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(2-hydroxyethyl)-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide
SMILESO=C(CCc1[nH]c2ccccc2c1Sc1ccccc1)NCCO
InChIInChI=1S/C19H20N2O2S/c22-13-12-20-18(23)11-10-17-19(24-14-6-2-1-3-7-14)15-8-4-5-9-16(15)21-17/h1-9,21-22H,10-13H2,(H,20,23)
InChIKeyPCKHDGQBSIIPJS-UHFFFAOYSA-N
XLogP3.36
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide (CID 630962) is N-(2-hydroxyethyl)-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide is O=C(CCc1[nH]c2ccccc2c1Sc1ccccc1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide?
The InChIKey is PCKHDGQBSIIPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-13-12-20-18(23)11-10-17-19(24-14-6-2-1-3-7-14)15-8-4-5-9-16(15)21-17/h1-9,21-22H,10-13H2,(H,20,23).
What are the key properties of N-(2-hydroxyethyl)-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide?
N-(2-hydroxyethyl)-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide has a molecular weight of 340.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(3-phenylsulfanyl-1H-indol-2-yl)propanamide is sourced from PubChem (CID 630962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).