2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

C20H29F2N3O3S — CID 133293489

IUPAC2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)C1
InChIInChI=1S/C20H29F2N3O3S/c1-15-3-2-4-16(13-15)23-19(26)14-24-9-11-25(12-10-24)17-5-7-18(8-6-17)29(27,28)20(21)22/h5-8,15-16,20H,2-4,9-14H2,1H3,(H,23,26)
InChIKeyYLTVNBAANDKVKE-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.50
Rot. Bonds6

About 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide (PubChem CID 133293489) has the molecular formula C20H29F2N3O3S and a molecular weight of 429.53 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
PubChem CID133293489
Molecular FormulaC20H29F2N3O3S
Molecular Weight429.53 g/mol
Exact Mass429.19
IUPAC Name2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)C1
InChIInChI=1S/C20H29F2N3O3S/c1-15-3-2-4-16(13-15)23-19(26)14-24-9-11-25(12-10-24)17-5-7-18(8-6-17)29(27,28)20(21)22/h5-8,15-16,20H,2-4,9-14H2,1H3,(H,23,26)
InChIKeyYLTVNBAANDKVKE-UHFFFAOYSA-N
XLogP2.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide
CID 133287695
N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133293470
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
N-[(1S,3R)-3-methylcyclohexyl]-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide
CID 97254979
N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide
CID 124842311
N-methyl-4-[4-[2-[(3-methylcyclohexyl)amino]-2-oxoethyl]piperazin-1-yl]-3-nitrobenzamide
CID 133293485
2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide
CID 56797945
2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 100896929
N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
CID 133293462
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride
CID 119876812
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 11932212

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide (CID 133293489) is 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide is CC1CCCC(NC(=O)CN2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)C1.
What is the InChIKey of 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
The InChIKey is YLTVNBAANDKVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O3S/c1-15-3-2-4-16(13-15)23-19(26)14-24-9-11-25(12-10-24)17-5-7-18(8-6-17)29(27,28)20(21)22/h5-8,15-16,20H,2-4,9-14H2,1H3,(H,23,26).
What are the key properties of 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide has a molecular weight of 429.53 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide is sourced from PubChem (CID 133293489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).