N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide

C22H24N2O5S2 — CID 29221650

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C22H24N2O5S2/c1-28-18-11-9-17(10-12-18)13-14-23-21(25)16-24(19-6-3-4-7-20(19)29-2)31(26,27)22-8-5-15-30-22/h3-12,15H,13-14,16H2,1-2H3,(H,23,25)
InChIKeyMWHYBOLYZNVPSL-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.32
Rot. Bonds10

About N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 29221650) has the molecular formula C22H24N2O5S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID29221650
Molecular FormulaC22H24N2O5S2
Molecular Weight460.58 g/mol
Exact Mass460.11
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C22H24N2O5S2/c1-28-18-11-9-17(10-12-18)13-14-23-21(25)16-24(19-6-3-4-7-20(19)29-2)31(26,27)22-8-5-15-30-22/h3-12,15H,13-14,16H2,1-2H3,(H,23,25)
InChIKeyMWHYBOLYZNVPSL-UHFFFAOYSA-N
XLogP3.32
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2695403
N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221629
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30243119
N-[2-(4-methylphenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 20855643
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2897499
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 24626467
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 51344354
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243544
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512951
N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221704
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30264278
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 2175307

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide (CID 29221650) is N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide is COc1ccc(CCNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is MWHYBOLYZNVPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S2/c1-28-18-11-9-17(10-12-18)13-14-23-21(25)16-24(19-6-3-4-7-20(19)29-2)31(26,27)22-8-5-15-30-22/h3-12,15H,13-14,16H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 460.58 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 29221650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).