N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide

C20H19N3O5S2 — CID 55993123

IUPACN-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1cccs1)Nc1cccc(OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H19N3O5S2/c24-18(13-21-30(26,27)20-10-5-11-29-20)23-16-8-4-9-17(12-16)28-14-19(25)22-15-6-2-1-3-7-15/h1-12,21H,13-14H2,(H,22,25)(H,23,24)
InChIKeyIQEWFVCHOIKYII-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.68
Rot. Bonds9

About N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide

N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 55993123) has the molecular formula C20H19N3O5S2 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID55993123
Molecular FormulaC20H19N3O5S2
Molecular Weight445.52 g/mol
Exact Mass445.08
IUPAC NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1cccs1)Nc1cccc(OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H19N3O5S2/c24-18(13-21-30(26,27)20-10-5-11-29-20)23-16-8-4-9-17(12-16)28-14-19(25)22-15-6-2-1-3-7-15/h1-12,21H,13-14H2,(H,22,25)(H,23,24)
InChIKeyIQEWFVCHOIKYII-UHFFFAOYSA-N
XLogP2.68
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 4615673
dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 55676636
N-(4-acetylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995650
N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 3238020
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119723904
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid
CID 61058454
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31975893
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
[2-oxo-2-(3-phenoxyanilino)ethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 23851040
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide (CID 55993123) is N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide is O=C(CNS(=O)(=O)c1cccs1)Nc1cccc(OCC(=O)Nc2ccccc2)c1.
What is the InChIKey of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is IQEWFVCHOIKYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S2/c24-18(13-21-30(26,27)20-10-5-11-29-20)23-16-8-4-9-17(12-16)28-14-19(25)22-15-6-2-1-3-7-15/h1-12,21H,13-14H2,(H,22,25)(H,23,24).
What are the key properties of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 445.52 g/mol, XLogP of 2.68, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 55993123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).