N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide

C18H22N2O3S — CID 99980583

IUPACN-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide
SMILESC[C@@](O)(CNC(=O)C(=O)NC1CCCC1)c1cc2ccccc2s1
InChIInChI=1S/C18H22N2O3S/c1-18(23,15-10-12-6-2-5-9-14(12)24-15)11-19-16(21)17(22)20-13-7-3-4-8-13/h2,5-6,9-10,13,23H,3-4,7-8,11H2,1H3,(H,19,21)(H,20,22)/t18-/m1/s1
InChIKeyPHXICSALBHZVPV-GOSISDBHSA-N
MW346.45 g/mol
LogP2.28
Rot. Bonds4

About N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide

N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide (PubChem CID 99980583) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide
PubChem CID99980583
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide
SMILESC[C@@](O)(CNC(=O)C(=O)NC1CCCC1)c1cc2ccccc2s1
InChIInChI=1S/C18H22N2O3S/c1-18(23,15-10-12-6-2-5-9-14(12)24-15)11-19-16(21)17(22)20-13-7-3-4-8-13/h2,5-6,9-10,13,23H,3-4,7-8,11H2,1H3,(H,19,21)(H,20,22)/t18-/m1/s1
InChIKeyPHXICSALBHZVPV-GOSISDBHSA-N
XLogP2.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 99979795
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide
CID 99979783
N'-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 86264041
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide
CID 86264037
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide
CID 86263942
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-(3-chloro-2-methylphenyl)oxamide
CID 99980679
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]-2-(4-fluorophenyl)acetamide
CID 99979902
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide
CID 99980030
N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498657
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 99980288

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide?
The IUPAC name of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide (CID 99980583) is N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide.
What is the SMILES notation for N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide?
The canonical SMILES for N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide is C[C@@](O)(CNC(=O)C(=O)NC1CCCC1)c1cc2ccccc2s1.
What is the InChIKey of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide?
The InChIKey is PHXICSALBHZVPV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-18(23,15-10-12-6-2-5-9-14(12)24-15)11-19-16(21)17(22)20-13-7-3-4-8-13/h2,5-6,9-10,13,23H,3-4,7-8,11H2,1H3,(H,19,21)(H,20,22)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide?
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide has a molecular weight of 346.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide is sourced from PubChem (CID 99980583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).