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

C23H23N3O5S2 — CID 55879849

IUPACN-[3-(3-cyanopropoxy)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCN(c1ccc(OCC(=O)Nc2cccc(OCCCC#N)c2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H23N3O5S2/c1-26(33(28,29)23-8-5-15-32-23)19-9-11-20(12-10-19)31-17-22(27)25-18-6-4-7-21(16-18)30-14-3-2-13-24/h4-12,15-16H,2-3,14,17H2,1H3,(H,25,27)
InChIKeyBVWJYJFEUFSLQV-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.27
Rot. Bonds11

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

N-[3-(3-cyanopropoxy)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (PubChem CID 55879849) has the molecular formula C23H23N3O5S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[3-(3-cyanopropoxy)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-(3-cyanopropoxy)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
PubChem CID55879849
Molecular FormulaC23H23N3O5S2
Molecular Weight485.59 g/mol
Exact Mass485.11
IUPAC NameN-[3-(3-cyanopropoxy)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCN(c1ccc(OCC(=O)Nc2cccc(OCCCC#N)c2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H23N3O5S2/c1-26(33(28,29)23-8-5-15-32-23)19-9-11-20(12-10-19)31-17-22(27)25-18-6-4-7-21(16-18)30-14-3-2-13-24/h4-12,15-16H,2-3,14,17H2,1H3,(H,25,27)
InChIKeyBVWJYJFEUFSLQV-UHFFFAOYSA-N
XLogP4.27
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16545390
N-(4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16547796
[2-oxo-2-(3-phenoxyanilino)ethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 23851040
N-[4-(carbamoylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 33152745
N-(4-bromo-3-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16545387
N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057856
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
N-(2-methylpropyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057857
[1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982354
N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16552072
[2-(4-chloroanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 2339750
N-[(2S)-1-aminopropan-2-yl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 120506152

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (CID 55879849) is N-[3-(3-cyanopropoxy)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-[3-(3-cyanopropoxy)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-[3-(3-cyanopropoxy)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is CN(c1ccc(OCC(=O)Nc2cccc(OCCCC#N)c2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-(3-cyanopropoxy)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is BVWJYJFEUFSLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S2/c1-26(33(28,29)23-8-5-15-32-23)19-9-11-20(12-10-19)31-17-22(27)25-18-6-4-7-21(16-18)30-14-3-2-13-24/h4-12,15-16H,2-3,14,17H2,1H3,(H,25,27).
What are the key properties of N-[3-(3-cyanopropoxy)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
N-[3-(3-cyanopropoxy)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 485.59 g/mol, XLogP of 4.27, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanopropoxy)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 55879849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).