2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide

C22H28N2O4S — CID 4510832

IUPAC2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C22H28N2O4S/c1-16-8-10-24(11-9-16)29(26,27)21-6-4-19(5-7-21)23-22(25)15-28-20-13-17(2)12-18(3)14-20/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,23,25)
InChIKeyNBHUFTAWNCRINK-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.74
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide

2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 4510832) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID4510832
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C22H28N2O4S/c1-16-8-10-24(11-9-16)29(26,27)21-6-4-19(5-7-21)23-22(25)15-28-20-13-17(2)12-18(3)14-20/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,23,25)
InChIKeyNBHUFTAWNCRINK-UHFFFAOYSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-naphthalen-2-yloxyacetamide
CID 1010620
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066641
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide
CID 4931080
2-(4-bromophenoxy)-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]acetamide
CID 3346035
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258
3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 2976005
2-(3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16930551
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 30656702
2-(3,5-dimethylphenoxy)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 652754
2-(4-bromo-3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1329929
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3543964

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 4510832) is 2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is NBHUFTAWNCRINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16-8-10-24(11-9-16)29(26,27)21-6-4-19(5-7-21)23-22(25)15-28-20-13-17(2)12-18(3)14-20/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,23,25).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 416.54 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 4510832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).