N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide

C19H25F2N5O5S — CID 17024228

IUPACN-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)ccc1OC(F)F
InChIInChI=1S/C19H25F2N5O5S/c1-13-17(11-22-24(13)2)32(28,29)26-8-6-25(7-9-26)12-18(27)23-14-4-5-15(31-19(20)21)16(10-14)30-3/h4-5,10-11,19H,6-9,12H2,1-3H3,(H,23,27)
InChIKeyVHNXSBXDGZUPNF-UHFFFAOYSA-N
MW473.50 g/mol
LogP1.28
Rot. Bonds8

About N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide

N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 17024228) has the molecular formula C19H25F2N5O5S and a molecular weight of 473.50 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
PubChem CID17024228
Molecular FormulaC19H25F2N5O5S
Molecular Weight473.50 g/mol
Exact Mass473.15
IUPAC NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)ccc1OC(F)F
InChIInChI=1S/C19H25F2N5O5S/c1-13-17(11-22-24(13)2)32(28,29)26-8-6-25(7-9-26)12-18(27)23-14-4-5-15(31-19(20)21)16(10-14)30-3/h4-5,10-11,19H,6-9,12H2,1-3H3,(H,23,27)
InChIKeyVHNXSBXDGZUPNF-UHFFFAOYSA-N
XLogP1.28
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 17024466
2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 17024200
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522617
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 17024298
3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19554010
2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
CID 19524724
N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8800587
4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide
CID 19475965
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 2655574
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2655698
2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 5093122
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 16599033

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide (CID 17024228) is N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide is COc1cc(NC(=O)CN2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)ccc1OC(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is VHNXSBXDGZUPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O5S/c1-13-17(11-22-24(13)2)32(28,29)26-8-6-25(7-9-26)12-18(27)23-14-4-5-15(31-19(20)21)16(10-14)30-3/h4-5,10-11,19H,6-9,12H2,1-3H3,(H,23,27).
What are the key properties of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 473.50 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 17024228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).