N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide

C21H25F2N3O2S — CID 9130652

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)Nc3ccccc3SC(F)F)CC2)cc1
InChIInChI=1S/C21H25F2N3O2S/c1-28-17-8-6-16(7-9-17)14-25-10-12-26(13-11-25)15-20(27)24-18-4-2-3-5-19(18)29-21(22)23/h2-9,21H,10-15H2,1H3,(H,24,27)
InChIKeySYXLCPWBCVJVQF-UHFFFAOYSA-N
MW421.51 g/mol
LogP3.77
Rot. Bonds8

About N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 9130652) has the molecular formula C21H25F2N3O2S and a molecular weight of 421.51 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID9130652
Molecular FormulaC21H25F2N3O2S
Molecular Weight421.51 g/mol
Exact Mass421.16
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)Nc3ccccc3SC(F)F)CC2)cc1
InChIInChI=1S/C21H25F2N3O2S/c1-28-17-8-6-16(7-9-17)14-25-10-12-26(13-11-25)15-20(27)24-18-4-2-3-5-19(18)29-21(22)23/h2-9,21H,10-15H2,1H3,(H,24,27)
InChIKeySYXLCPWBCVJVQF-UHFFFAOYSA-N
XLogP3.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethylsulfonyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 55468782
N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130047
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130043
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8549272
N-[2-(difluoromethylsulfanyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8519875
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9129907
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 16599554
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 8587774
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9130348

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 9130652) is N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(CN2CCN(CC(=O)Nc3ccccc3SC(F)F)CC2)cc1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is SYXLCPWBCVJVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2S/c1-28-17-8-6-16(7-9-17)14-25-10-12-26(13-11-25)15-20(27)24-18-4-2-3-5-19(18)29-21(22)23/h2-9,21H,10-15H2,1H3,(H,24,27).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 421.51 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9130652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).