N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide

C20H21NO2S2 — CID 86263963

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NCC(C)(O)c1cc2ccccc2s1
InChIInChI=1S/C20H21NO2S2/c1-3-24-17-11-7-5-9-15(17)19(22)21-13-20(2,23)18-12-14-8-4-6-10-16(14)25-18/h4-12,23H,3,13H2,1-2H3,(H,21,22)
InChIKeyTURASDXGDHEWIK-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.65
Rot. Bonds6

About N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide

N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide (PubChem CID 86263963) has the molecular formula C20H21NO2S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide
PubChem CID86263963
Molecular FormulaC20H21NO2S2
Molecular Weight371.53 g/mol
Exact Mass371.10
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NCC(C)(O)c1cc2ccccc2s1
InChIInChI=1S/C20H21NO2S2/c1-3-24-17-11-7-5-9-15(17)19(22)21-13-20(2,23)18-12-14-8-4-6-10-16(14)25-18/h4-12,23H,3,13H2,1-2H3,(H,21,22)
InChIKeyTURASDXGDHEWIK-UHFFFAOYSA-N
XLogP4.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide (CID 86263963) is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)NCC(C)(O)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide?
The InChIKey is TURASDXGDHEWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S2/c1-3-24-17-11-7-5-9-15(17)19(22)21-13-20(2,23)18-12-14-8-4-6-10-16(14)25-18/h4-12,23H,3,13H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide has a molecular weight of 371.53 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide is sourced from PubChem (CID 86263963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).