N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide

C20H21NO2S2 — CID 99980040

IUPACN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide
SMILESC[C@](O)(CNC(=O)CCSc1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C20H21NO2S2/c1-20(23,18-13-15-7-5-6-10-17(15)25-18)14-21-19(22)11-12-24-16-8-3-2-4-9-16/h2-10,13,23H,11-12,14H2,1H3,(H,21,22)/t20-/m0/s1
InChIKeyGNBFUUICMJICAX-FQEVSTJZSA-N
MW371.53 g/mol
LogP4.41
Rot. Bonds7

About N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide (PubChem CID 99980040) 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]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide
PubChem CID99980040
Molecular FormulaC20H21NO2S2
Molecular Weight371.53 g/mol
Exact Mass371.10
IUPAC NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide
SMILESC[C@](O)(CNC(=O)CCSc1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C20H21NO2S2/c1-20(23,18-13-15-7-5-6-10-17(15)25-18)14-21-19(22)11-12-24-16-8-3-2-4-9-16/h2-10,13,23H,11-12,14H2,1H3,(H,21,22)/t20-/m0/s1
InChIKeyGNBFUUICMJICAX-FQEVSTJZSA-N
XLogP4.41
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 ≤ 54.41
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]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide (CID 99980040) is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide is C[C@](O)(CNC(=O)CCSc1ccccc1)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide?
The InChIKey is GNBFUUICMJICAX-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21NO2S2/c1-20(23,18-13-15-7-5-6-10-17(15)25-18)14-21-19(22)11-12-24-16-8-3-2-4-9-16/h2-10,13,23H,11-12,14H2,1H3,(H,21,22)/t20-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide?
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide has a molecular weight of 371.53 g/mol, XLogP of 4.41, 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]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 99980040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).