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

C20H21NO2S2 — CID 99980030

IUPACN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NC[C@](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)/t20-/m0/s1
InChIKeyTURASDXGDHEWIK-FQEVSTJZSA-N
MW371.53 g/mol
LogP4.65
Rot. Bonds6

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

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide (PubChem CID 99980030) 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-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide
PubChem CID99980030
Molecular FormulaC20H21NO2S2
Molecular Weight371.53 g/mol
Exact Mass371.10
IUPAC NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NC[C@](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)/t20-/m0/s1
InChIKeyTURASDXGDHEWIK-FQEVSTJZSA-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

Analyze N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide
CID 99979783
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-naphthalen-1-ylacetamide
CID 99980052
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide
CID 86263964
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 99979795
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
CID 99979902
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide
CID 99980583
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]ethanesulfonamide
CID 99980295
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide
CID 86263942
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 99980288
2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol
CID 114910768
1-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 99980805
1-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea
CID 99980785

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide?
The IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide (CID 99980030) is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)NC[C@](C)(O)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide?
The InChIKey is TURASDXGDHEWIK-FQEVSTJZSA-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)/t20-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide?
N-[(2S)-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-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide is sourced from PubChem (CID 99980030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).