2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide

C22H19ClN2O2S — CID 26821155

IUPAC2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Cl)cc1)[C@H](c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H19ClN2O2S/c1-25(21(26)14-27-16-10-8-15(23)9-11-16)22(20-7-4-12-28-20)18-13-24-19-6-3-2-5-17(18)19/h2-13,22,24H,14H2,1H3/t22-/m0/s1
InChIKeyQSCSRXQEOUPBGV-QFIPXVFZSA-N
MW410.93 g/mol
LogP5.51
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide

2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide (PubChem CID 26821155) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
PubChem CID26821155
Molecular FormulaC22H19ClN2O2S
Molecular Weight410.93 g/mol
Exact Mass410.09
IUPAC Name2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Cl)cc1)[C@H](c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H19ClN2O2S/c1-25(21(26)14-27-16-10-8-15(23)9-11-16)22(20-7-4-12-28-20)18-13-24-19-6-3-2-5-17(18)19/h2-13,22,24H,14H2,1H3/t22-/m0/s1
InChIKeyQSCSRXQEOUPBGV-QFIPXVFZSA-N
XLogP5.51
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.93
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
CID 20895193
N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbutanamide
CID 38997374
N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbutanamide
CID 43843126
N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenoxy)acetamide
CID 26821173
N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide
CID 45148699
2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
CID 35344435
2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide
CID 110733008
4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide
CID 26821151
2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide
CID 51064503
N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
CID 43843744
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 35344394
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide (CID 26821155) is 2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide is CN(C(=O)COc1ccc(Cl)cc1)[C@H](c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide?
The InChIKey is QSCSRXQEOUPBGV-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c1-25(21(26)14-27-16-10-8-15(23)9-11-16)22(20-7-4-12-28-20)18-13-24-19-6-3-2-5-17(18)19/h2-13,22,24H,14H2,1H3/t22-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide?
2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide has a molecular weight of 410.93 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 26821155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).