N-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide

C23H35N3O5S — CID 55840674

IUPACN-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide
SMILESCC(=O)CCc1ccc(OCC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C23H35N3O5S/c1-19(27)8-9-20-10-12-22(13-11-20)31-18-23(28)25-14-16-26(17-15-25)32(29,30)24(2)21-6-4-3-5-7-21/h10-13,21H,3-9,14-18H2,1-2H3
InChIKeyVWUALCVUCLDEKR-UHFFFAOYSA-N
MW465.62 g/mol
LogP2.24
Rot. Bonds9

About N-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide

N-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide (PubChem CID 55840674) has the molecular formula C23H35N3O5S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide
PubChem CID55840674
Molecular FormulaC23H35N3O5S
Molecular Weight465.62 g/mol
Exact Mass465.23
IUPAC NameN-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide
SMILESCC(=O)CCc1ccc(OCC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C23H35N3O5S/c1-19(27)8-9-20-10-12-22(13-11-20)31-18-23(28)25-14-16-26(17-15-25)32(29,30)24(2)21-6-4-3-5-7-21/h10-13,21H,3-9,14-18H2,1-2H3
InChIKeyVWUALCVUCLDEKR-UHFFFAOYSA-N
XLogP2.24
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide with MolForge

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Related Compounds

4-[4-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]phenyl]butan-2-one
CID 55399530
N-cyclohexyl-N-methyl-4-[4-(methylsulfanylmethyl)benzoyl]piperazine-1-sulfonamide
CID 46598064
4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
CID 120560520
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056
4-[4-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-oxoethoxy]phenyl]butan-2-one
CID 55839900
2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 43585625
N-cyclohexyl-4-(3,4-diethoxybenzoyl)-N-methylpiperazine-1-sulfonamide
CID 55599312
4-[4-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethoxy]phenyl]butan-2-one
CID 55733706
4-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]butan-2-one
CID 55733737
N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 55733574
3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid
CID 122019342
2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31688394

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide (CID 55840674) is N-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide is CC(=O)CCc1ccc(OCC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide?
The InChIKey is VWUALCVUCLDEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O5S/c1-19(27)8-9-20-10-12-22(13-11-20)31-18-23(28)25-14-16-26(17-15-25)32(29,30)24(2)21-6-4-3-5-7-21/h10-13,21H,3-9,14-18H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide?
N-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide has a molecular weight of 465.62 g/mol, XLogP of 2.24, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazine-1-sulfonamide is sourced from PubChem (CID 55840674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).