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

C16H19NO2S — CID 99980221

IUPACN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide
SMILESC[C@](O)(CNC(=O)CC1CC1)c1cc2ccccc2s1
InChIInChI=1S/C16H19NO2S/c1-16(19,10-17-15(18)8-11-6-7-11)14-9-12-4-2-3-5-13(12)20-14/h2-5,9,11,19H,6-8,10H2,1H3,(H,17,18)/t16-/m0/s1
InChIKeyALKRQDXMPWGACR-INIZCTEOSA-N
MW289.40 g/mol
LogP3.03
Rot. Bonds5

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

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide (PubChem CID 99980221) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide
PubChem CID99980221
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide
SMILESC[C@](O)(CNC(=O)CC1CC1)c1cc2ccccc2s1
InChIInChI=1S/C16H19NO2S/c1-16(19,10-17-15(18)8-11-6-7-11)14-9-12-4-2-3-5-13(12)20-14/h2-5,9,11,19H,6-8,10H2,1H3,(H,17,18)/t16-/m0/s1
InChIKeyALKRQDXMPWGACR-INIZCTEOSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 71781710
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 71971006
2-(thiophen-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 76147682
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 86263983
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-3-(2-fluorophenyl)propanamide
CID 86263988
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-1-(4-fluorophenyl)cyclopropanecarboxamide
CID 91630852
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide
CID 99979801
2-[(S)-2-{[(p-fluorophenyl)methyl]carbamoylcarbonylamino}-1-hydroxy-1-methylethyl]-1-benzothiophene
CID 99980632
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 53570530
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-thiophen-2-ylbutanamide
CID 60314218
2-(2,3-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
CID 71990820
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide
CID 86263945

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide?
The IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide (CID 99980221) is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide is C[C@](O)(CNC(=O)CC1CC1)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide?
The InChIKey is ALKRQDXMPWGACR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-16(19,10-17-15(18)8-11-6-7-11)14-9-12-4-2-3-5-13(12)20-14/h2-5,9,11,19H,6-8,10H2,1H3,(H,17,18)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide?
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide has a molecular weight of 289.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide is sourced from PubChem (CID 99980221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).