N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide

C19H20N2O2S — CID 630980

IUPACN-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide
SMILESCn1c(CC(=O)NCCO)c(Sc2ccccc2)c2ccccc21
InChIInChI=1S/C19H20N2O2S/c1-21-16-10-6-5-9-15(16)19(24-14-7-3-2-4-8-14)17(21)13-18(23)20-11-12-22/h2-10,22H,11-13H2,1H3,(H,20,23)
InChIKeyUBQRFZPGEZMWSR-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.98
Rot. Bonds6

About N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide

N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide (PubChem CID 630980) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide
PubChem CID630980
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide
SMILESCn1c(CC(=O)NCCO)c(Sc2ccccc2)c2ccccc21
InChIInChI=1S/C19H20N2O2S/c1-21-16-10-6-5-9-15(16)19(24-14-7-3-2-4-8-14)17(21)13-18(23)20-11-12-22/h2-10,22H,11-13H2,1H3,(H,20,23)
InChIKeyUBQRFZPGEZMWSR-UHFFFAOYSA-N
XLogP2.98
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-3-phenylsulfanylindol-2-yl)acetate
CID 4623225
2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide
CID 674273
2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide
CID 555263
1-methyl-3-phenylsulfanyl-2-prop-2-enylindole
CID 134960351
2-carbazol-9-yl-N-(2-hydroxyethyl)acetamide
CID 43509864
methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate
CID 13186153
N-[2-[[1-(benzenesulfonyl)-3-phenylsulfanylindol-2-yl]methyl]phenyl]acetamide
CID 11214429
2-(3-chloro-1-methylindol-2-yl)acetic acid
CID 83891410
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
N-(2-hydroxyethyl)-3-methyl-4-oxoquinazoline-2-carboxamide
CID 39377679
3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide
CID 107235570
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide (CID 630980) is N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide is Cn1c(CC(=O)NCCO)c(Sc2ccccc2)c2ccccc21.
What is the InChIKey of N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide?
The InChIKey is UBQRFZPGEZMWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-21-16-10-6-5-9-15(16)19(24-14-7-3-2-4-8-14)17(21)13-18(23)20-11-12-22/h2-10,22H,11-13H2,1H3,(H,20,23).
What are the key properties of N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide?
N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide is sourced from PubChem (CID 630980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).