4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide

C20H24N2O5S2 — CID 142186437

IUPAC4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2ccc(CCNC(=O)Cc3cccs3)cc2)CCOCC1
InChIInChI=1S/C20H24N2O5S2/c21-19(24)20(8-11-27-12-9-20)29(25,26)17-5-3-15(4-6-17)7-10-22-18(23)14-16-2-1-13-28-16/h1-6,13H,7-12,14H2,(H2,21,24)(H,22,23)
InChIKeyKKWOYPHLZJXTFY-UHFFFAOYSA-N
MW436.56 g/mol
LogP1.46
Rot. Bonds8

About 4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide

4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 142186437) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID142186437
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC Name4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2ccc(CCNC(=O)Cc3cccs3)cc2)CCOCC1
InChIInChI=1S/C20H24N2O5S2/c21-19(24)20(8-11-27-12-9-20)29(25,26)17-5-3-15(4-6-17)7-10-22-18(23)14-16-2-1-13-28-16/h1-6,13H,7-12,14H2,(H2,21,24)(H,22,23)
InChIKeyKKWOYPHLZJXTFY-UHFFFAOYSA-N
XLogP1.46
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110790622
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 30125667
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110790640
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide
CID 16889915
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 55569858
N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 62502320
3-amino-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892897
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide
CID 142895819
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide
CID 115364188

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of 4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide (CID 142186437) is 4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for 4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for 4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide is NC(=O)C1(S(=O)(=O)c2ccc(CCNC(=O)Cc3cccs3)cc2)CCOCC1.
What is the InChIKey of 4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is KKWOYPHLZJXTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c21-19(24)20(8-11-27-12-9-20)29(25,26)17-5-3-15(4-6-17)7-10-22-18(23)14-16-2-1-13-28-16/h1-6,13H,7-12,14H2,(H2,21,24)(H,22,23).
What are the key properties of 4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide?
4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 142186437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).