N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

C23H30N2O5S2 — CID 55551698

IUPACN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O5S2/c1-18(20-9-13-21(14-10-20)31(3,27)28)24(2)23(26)17-19-7-11-22(12-8-19)32(29,30)25-15-5-4-6-16-25/h7-14,18H,4-6,15-17H2,1-3H3
InChIKeyPTPKKCJPIWQSPD-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.03
Rot. Bonds7

About N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 55551698) has the molecular formula C23H30N2O5S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID55551698
Molecular FormulaC23H30N2O5S2
Molecular Weight478.64 g/mol
Exact Mass478.16
IUPAC NameN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O5S2/c1-18(20-9-13-21(14-10-20)31(3,27)28)24(2)23(26)17-19-7-11-22(12-8-19)32(29,30)25-15-5-4-6-16-25/h7-14,18H,4-6,15-17H2,1-3H3
InChIKeyPTPKKCJPIWQSPD-UHFFFAOYSA-N
XLogP3.03
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 55452056
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55551706
2-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870188
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40938284
N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51147794
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 24571413
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46580547
2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 42945810
2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 42919756
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 46670040
N-[(2R,4S)-4-hydroxypentan-2-yl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 97350505
N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 39976465

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 55551698) is N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is PTPKKCJPIWQSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S2/c1-18(20-9-13-21(14-10-20)31(3,27)28)24(2)23(26)17-19-7-11-22(12-8-19)32(29,30)25-15-5-4-6-16-25/h7-14,18H,4-6,15-17H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 478.64 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55551698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).