(2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide

C24H24N4O3S — CID 2102796

IUPAC(2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H24N4O3S/c1-18(24(29)26-22-8-4-5-19(15-22)17-25)27-11-13-28(14-12-27)32(30,31)23-10-9-20-6-2-3-7-21(20)16-23/h2-10,15-16,18H,11-14H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyGLBLMZOHZNKRSZ-SFHVURJKSA-N
MW448.55 g/mol
LogP3.04
Rot. Bonds5

About (2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide

(2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide (PubChem CID 2102796) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
PubChem CID2102796
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name(2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H24N4O3S/c1-18(24(29)26-22-8-4-5-19(15-22)17-25)27-11-13-28(14-12-27)32(30,31)23-10-9-20-6-2-3-7-21(20)16-23/h2-10,15-16,18H,11-14H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyGLBLMZOHZNKRSZ-SFHVURJKSA-N
XLogP3.04
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 4969649
(2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 2526343
(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 9113402
(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propylpropanamide
CID 9493871
N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
CID 55625903
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide
CID 55351317
(2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 26295997
(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493165
(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
CID 2535656
N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 8742773
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 41093099

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide (CID 2102796) is (2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide is C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide?
The InChIKey is GLBLMZOHZNKRSZ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-18(24(29)26-22-8-4-5-19(15-22)17-25)27-11-13-28(14-12-27)32(30,31)23-10-9-20-6-2-3-7-21(20)16-23/h2-10,15-16,18H,11-14H2,1H3,(H,26,29)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide?
(2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide has a molecular weight of 448.55 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide is sourced from PubChem (CID 2102796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).