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

C17H25FN4O4S — CID 9493537

IUPAC(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
SMILESCC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H25FN4O4S/c1-12(2)19-17(24)20-16(23)13(3)21-8-10-22(11-9-21)27(25,26)15-7-5-4-6-14(15)18/h4-7,12-13H,8-11H2,1-3H3,(H2,19,20,23,24)/t13-/m1/s1
InChIKeyGGHBUKGYYSGHTN-CYBMUJFWSA-N
MW400.48 g/mol
LogP0.75
Rot. Bonds5

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

(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide (PubChem CID 9493537) has the molecular formula C17H25FN4O4S and a molecular weight of 400.48 g/mol. Its IUPAC name is (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
PubChem CID9493537
Molecular FormulaC17H25FN4O4S
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC Name(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
SMILESCC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H25FN4O4S/c1-12(2)19-17(24)20-16(23)13(3)21-8-10-22(11-9-21)27(25,26)15-7-5-4-6-14(15)18/h4-7,12-13H,8-11H2,1-3H3,(H2,19,20,23,24)/t13-/m1/s1
InChIKeyGGHBUKGYYSGHTN-CYBMUJFWSA-N
XLogP0.75
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 41119753
(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
(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-(3-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493478
(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9493597
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 46563112
(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide
CID 8693885
(2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 2526343
N-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 17449698
(2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide
CID 8690029

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide (CID 9493537) is (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide is CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
The InChIKey is GGHBUKGYYSGHTN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25FN4O4S/c1-12(2)19-17(24)20-16(23)13(3)21-8-10-22(11-9-21)27(25,26)15-7-5-4-6-14(15)18/h4-7,12-13H,8-11H2,1-3H3,(H2,19,20,23,24)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide has a molecular weight of 400.48 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide is sourced from PubChem (CID 9493537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).