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

C26H28FN3O3S — CID 41119753

IUPAC(2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C26H28FN3O3S/c1-20(26(31)28-25(21-10-4-2-5-11-21)22-12-6-3-7-13-22)29-16-18-30(19-17-29)34(32,33)24-15-9-8-14-23(24)27/h2-15,20,25H,16-19H2,1H3,(H,28,31)/t20-/m1/s1
InChIKeyAPICAHDJOPPMHP-HXUWFJFHSA-N
MW481.59 g/mol
LogP3.43
Rot. Bonds7

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

(2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 41119753) has the molecular formula C26H28FN3O3S and a molecular weight of 481.59 g/mol. Its IUPAC name is (2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID41119753
Molecular FormulaC26H28FN3O3S
Molecular Weight481.59 g/mol
Exact Mass481.18
IUPAC Name(2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C26H28FN3O3S/c1-20(26(31)28-25(21-10-4-2-5-11-21)22-12-6-3-7-13-22)29-16-18-30(19-17-29)34(32,33)24-15-9-8-14-23(24)27/h2-15,20,25H,16-19H2,1H3,(H,28,31)/t20-/m1/s1
InChIKeyAPICAHDJOPPMHP-HXUWFJFHSA-N
XLogP3.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9493537
(2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512740
(2S)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enylpropanamide
CID 9493487
(2S)-N-(3-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493478
(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
CID 1439178
N-benzhydryl-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 71903436
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8749274
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9493517
(2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 9036697
(2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide
CID 8690029
(2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 2526343
N-benzhydryl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51167538

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide (CID 41119753) is (2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide is C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of (2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is APICAHDJOPPMHP-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H28FN3O3S/c1-20(26(31)28-25(21-10-4-2-5-11-21)22-12-6-3-7-13-22)29-16-18-30(19-17-29)34(32,33)24-15-9-8-14-23(24)27/h2-15,20,25H,16-19H2,1H3,(H,28,31)/t20-/m1/s1.
What are the key properties of (2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
(2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 481.59 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 41119753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).