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

C20H21NO2S2 — CID 86263964

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide
SMILESCC(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)
InChIKeyGNBFUUICMJICAX-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.41
Rot. Bonds7

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

N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide (PubChem CID 86263964) 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]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide
PubChem CID86263964
Molecular FormulaC20H21NO2S2
Molecular Weight371.53 g/mol
Exact Mass371.10
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide
SMILESCC(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)
InChIKeyGNBFUUICMJICAX-UHFFFAOYSA-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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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-[(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-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide
CID 99980030
3-phenylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78786041
1-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 99980805
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide
CID 99980583
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 99980288
1-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea
CID 99980785
N'-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 86264041
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]ethanesulfonamide
CID 99980295

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide (CID 86263964) is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide is CC(O)(CNC(=O)CCSc1ccccc1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide?
The InChIKey is GNBFUUICMJICAX-UHFFFAOYSA-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).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide?
N-[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-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 86263964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).