(2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide

C20H21FN4O3S — CID 2526343

IUPAC(2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H21FN4O3S/c1-15(20(26)23-17-6-4-5-16(13-17)14-22)24-9-11-25(12-10-24)29(27,28)19-8-3-2-7-18(19)21/h2-8,13,15H,9-12H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyUFHQBRXIFLRUHZ-OAHLLOKOSA-N
MW416.48 g/mol
LogP2.03
Rot. Bonds5

About (2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide

(2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 2526343) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is (2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID2526343
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC Name(2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H21FN4O3S/c1-15(20(26)23-17-6-4-5-16(13-17)14-22)24-9-11-25(12-10-24)29(27,28)19-8-3-2-7-18(19)21/h2-8,13,15H,9-12H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyUFHQBRXIFLRUHZ-OAHLLOKOSA-N
XLogP2.03
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 2526338
(2S)-N-(3-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493478
N-(3-cyanophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 4969649
(2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 2102796
(2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512740
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 46631323
N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
CID 55625903
N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64680347
(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
CID 2535656
(2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 41119753
N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
(2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide
CID 9389720

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide (CID 2526343) is (2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide is C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of (2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is UFHQBRXIFLRUHZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c1-15(20(26)23-17-6-4-5-16(13-17)14-22)24-9-11-25(12-10-24)29(27,28)19-8-3-2-7-18(19)21/h2-8,13,15H,9-12H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of (2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
(2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 416.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 2526343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).