2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide

C20H23F2N3O4S — CID 46801275

IUPAC2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H23F2N3O4S/c1-14(20(26)23-18-5-3-4-6-19(18)29-2)24-9-11-25(12-10-24)30(27,28)15-7-8-16(21)17(22)13-15/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)
InChIKeyKDSLWVNSEJBJJO-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.31
Rot. Bonds6

About 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide

2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 46801275) has the molecular formula C20H23F2N3O4S and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID46801275
Molecular FormulaC20H23F2N3O4S
Molecular Weight439.48 g/mol
Exact Mass439.14
IUPAC Name2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H23F2N3O4S/c1-14(20(26)23-18-5-3-4-6-19(18)29-2)24-9-11-25(12-10-24)30(27,28)15-7-8-16(21)17(22)13-15/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)
InChIKeyKDSLWVNSEJBJJO-UHFFFAOYSA-N
XLogP2.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8512506
(2S)-N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512483
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 55354654
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 55430826
N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 55354582
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-fluorophenyl)propanamide
CID 134038394
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 9493947
N-[2-(difluoromethoxy)phenyl]-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46630855
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 41093099
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2655636
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46631399
(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 30642247

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide (CID 46801275) is 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is KDSLWVNSEJBJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O4S/c1-14(20(26)23-18-5-3-4-6-19(18)29-2)24-9-11-25(12-10-24)30(27,28)15-7-8-16(21)17(22)13-15/h3-8,13-14H,9-12H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 439.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 46801275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).