N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-benzylsulfanylacetamide

C20H21NO2S2 — CID 99980026

IUPACN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-benzylsulfanylacetamide
SMILESC[C@](O)(CNC(=O)CSCc1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C20H21NO2S2/c1-20(23,18-11-16-9-5-6-10-17(16)25-18)14-21-19(22)13-24-12-15-7-3-2-4-8-15/h2-11,23H,12-14H2,1H3,(H,21,22)/t20-/m0/s1
InChIKeyALPCLLDGGIEAOW-FQEVSTJZSA-N
MW371.53 g/mol
LogP4.16
Rot. Bonds7

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

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-benzylsulfanylacetamide (PubChem CID 99980026) has the molecular formula C20H21NO2S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-benzylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-benzylsulfanylacetamide
PubChem CID99980026
Molecular FormulaC20H21NO2S2
Molecular Weight371.53 g/mol
Exact Mass371.10
IUPAC NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-benzylsulfanylacetamide
SMILESC[C@](O)(CNC(=O)CSCc1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C20H21NO2S2/c1-20(23,18-11-16-9-5-6-10-17(16)25-18)14-21-19(22)13-24-12-15-7-3-2-4-8-15/h2-11,23H,12-14H2,1H3,(H,21,22)/t20-/m0/s1
InChIKeyALPCLLDGGIEAOW-FQEVSTJZSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-benzylsulfanylacetamide?
The IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-benzylsulfanylacetamide (CID 99980026) is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-benzylsulfanylacetamide.
What is the SMILES notation for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-benzylsulfanylacetamide?
The canonical SMILES for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-benzylsulfanylacetamide is C[C@](O)(CNC(=O)CSCc1ccccc1)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-benzylsulfanylacetamide?
The InChIKey is ALPCLLDGGIEAOW-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21NO2S2/c1-20(23,18-11-16-9-5-6-10-17(16)25-18)14-21-19(22)13-24-12-15-7-3-2-4-8-15/h2-11,23H,12-14H2,1H3,(H,21,22)/t20-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-benzylsulfanylacetamide?
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-benzylsulfanylacetamide has a molecular weight of 371.53 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-benzylsulfanylacetamide is sourced from PubChem (CID 99980026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).