2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide

C22H24N2O4S3 — CID 27828642

IUPAC2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide
SMILESCN(c1ccc(OCC(=O)NCCCSc2ccccc2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H24N2O4S3/c1-24(31(26,27)22-9-5-15-30-22)18-10-12-19(13-11-18)28-17-21(25)23-14-6-16-29-20-7-3-2-4-8-20/h2-5,7-13,15H,6,14,16-17H2,1H3,(H,23,25)
InChIKeyTVQIXOPXAFXYIZ-UHFFFAOYSA-N
MW476.65 g/mol
LogP4.25
Rot. Bonds11

About 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide

2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide (PubChem CID 27828642) has the molecular formula C22H24N2O4S3 and a molecular weight of 476.65 g/mol. Its IUPAC name is 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide
PubChem CID27828642
Molecular FormulaC22H24N2O4S3
Molecular Weight476.65 g/mol
Exact Mass476.09
IUPAC Name2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide
SMILESCN(c1ccc(OCC(=O)NCCCSc2ccccc2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H24N2O4S3/c1-24(31(26,27)22-9-5-15-30-22)18-10-12-19(13-11-18)28-17-21(25)23-14-6-16-29-20-7-3-2-4-8-20/h2-5,7-13,15H,6,14,16-17H2,1H3,(H,23,25)
InChIKeyTVQIXOPXAFXYIZ-UHFFFAOYSA-N
XLogP4.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.65
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 41306631
N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057856
N-(2-methylpropyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057857
2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 27828609
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
[2-(benzylamino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16530867
N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 25354917
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 31217869
2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 26352192
N-(3,5-dimethylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16545390
N-[(2S)-1-aminopropan-2-yl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 120506152
N-(4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16547796

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide?
The IUPAC name of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide (CID 27828642) is 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide?
The canonical SMILES for 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide is CN(c1ccc(OCC(=O)NCCCSc2ccccc2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide?
The InChIKey is TVQIXOPXAFXYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S3/c1-24(31(26,27)22-9-5-15-30-22)18-10-12-19(13-11-18)28-17-21(25)23-14-6-16-29-20-7-3-2-4-8-20/h2-5,7-13,15H,6,14,16-17H2,1H3,(H,23,25).
What are the key properties of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide?
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide has a molecular weight of 476.65 g/mol, XLogP of 4.25, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide is sourced from PubChem (CID 27828642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).