N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide

C18H16ClNO3S — CID 100724869

IUPACN-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC[C@@H](O)c1csc2ccccc12
InChIInChI=1S/C18H16ClNO3S/c19-12-5-7-13(8-6-12)23-10-18(22)20-9-16(21)15-11-24-17-4-2-1-3-14(15)17/h1-8,11,16,21H,9-10H2,(H,20,22)/t16-/m1/s1
InChIKeyJJGHTLMUXSNSBO-MRXNPFEDSA-N
MW361.85 g/mol
LogP3.78
Rot. Bonds6

About N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide

N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 100724869) has the molecular formula C18H16ClNO3S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide
PubChem CID100724869
Molecular FormulaC18H16ClNO3S
Molecular Weight361.85 g/mol
Exact Mass361.05
IUPAC NameN-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC[C@@H](O)c1csc2ccccc12
InChIInChI=1S/C18H16ClNO3S/c19-12-5-7-13(8-6-12)23-10-18(22)20-9-16(21)15-11-24-17-4-2-1-3-14(15)17/h1-8,11,16,21H,9-10H2,(H,20,22)/t16-/m1/s1
InChIKeyJJGHTLMUXSNSBO-MRXNPFEDSA-N
XLogP3.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]amino]-2-oxoethyl] acetate
CID 91630866
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide
CID 121179497
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
CID 100725327
1-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(4-ethoxyphenyl)urea
CID 121179687
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide
CID 121179488
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 121179337
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
CID 100724295
2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889268
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 100724458
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 100724436
2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66177064
2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258574

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide (CID 100724869) is N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)NC[C@@H](O)c1csc2ccccc12.
What is the InChIKey of N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is JJGHTLMUXSNSBO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16ClNO3S/c19-12-5-7-13(8-6-12)23-10-18(22)20-9-16(21)15-11-24-17-4-2-1-3-14(15)17/h1-8,11,16,21H,9-10H2,(H,20,22)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide?
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 361.85 g/mol, XLogP of 3.78, 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-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 100724869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).