2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide

C23H25N3O4S2 — CID 35358917

IUPAC2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESCN(c1ccc(OCC(=O)Nc2ccccc2N2CCCC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H25N3O4S2/c1-25(32(28,29)23-9-6-16-31-23)18-10-12-19(13-11-18)30-17-22(27)24-20-7-2-3-8-21(20)26-14-4-5-15-26/h2-3,6-13,16H,4-5,14-15,17H2,1H3,(H,24,27)
InChIKeyZNISPMPIAGIKSI-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.19
Rot. Bonds8

About 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide

2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 35358917) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID35358917
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC Name2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESCN(c1ccc(OCC(=O)Nc2ccccc2N2CCCC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H25N3O4S2/c1-25(32(28,29)23-9-6-16-31-23)18-10-12-19(13-11-18)30-17-22(27)24-20-7-2-3-8-21(20)26-14-4-5-15-26/h2-3,6-13,16H,4-5,14-15,17H2,1H3,(H,24,27)
InChIKeyZNISPMPIAGIKSI-UHFFFAOYSA-N
XLogP4.19
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057856
N-(3,5-dimethylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16545390
N-[4-(carbamoylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 33152745
N-(4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16547796
N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16552072
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
[2-(2-nitroanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 23881883
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 55700394
N-(5-tert-butyl-2-methoxyphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16546418
N-(5-bromo-2-pyridinyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 55450694
N-(2-methylpropyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057857
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 31527622

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 35358917) is 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide is CN(c1ccc(OCC(=O)Nc2ccccc2N2CCCC2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is ZNISPMPIAGIKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-25(32(28,29)23-9-6-16-31-23)18-10-12-19(13-11-18)30-17-22(27)24-20-7-2-3-8-21(20)26-14-4-5-15-26/h2-3,6-13,16H,4-5,14-15,17H2,1H3,(H,24,27).
What are the key properties of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 471.60 g/mol, XLogP of 4.19, 8 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-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 35358917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).