N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide

C21H27N3O4S — CID 9083438

IUPACN-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H27N3O4S/c1-16-9-10-20(28-2)19(13-16)23-21(25)15-22-17-7-6-8-18(14-17)29(26,27)24-11-4-3-5-12-24/h6-10,13-14,22H,3-5,11-12,15H2,1-2H3,(H,23,25)
InChIKeyMSTUSUGWAFZVTH-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.23
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide

N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 9083438) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID9083438
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H27N3O4S/c1-16-9-10-20(28-2)19(13-16)23-21(25)15-22-17-7-6-8-18(14-17)29(26,27)24-11-4-3-5-12-24/h6-10,13-14,22H,3-5,11-12,15H2,1-2H3,(H,23,25)
InChIKeyMSTUSUGWAFZVTH-UHFFFAOYSA-N
XLogP3.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(azepan-1-ylsulfonyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 42996635
2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 26440019
2-(4-fluoroanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9098686
N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide
CID 16553147
N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083617
2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4854756
N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083951
ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
CID 24614979
N-(2-methoxy-5-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1084118
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083492
N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083457

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide (CID 9083438) is N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide is COc1ccc(C)cc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is MSTUSUGWAFZVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-16-9-10-20(28-2)19(13-16)23-21(25)15-22-17-7-6-8-18(14-17)29(26,27)24-11-4-3-5-12-24/h6-10,13-14,22H,3-5,11-12,15H2,1-2H3,(H,23,25).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 417.53 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 9083438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).