2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide

C23H25N3O3S — CID 4824595

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O3S/c1-18(23(27)24-22-13-7-9-19-8-5-6-12-21(19)22)25-14-16-26(17-15-25)30(28,29)20-10-3-2-4-11-20/h2-13,18H,14-17H2,1H3,(H,24,27)
InChIKeyFTGNNACEWQPZMS-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.17
Rot. Bonds5

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide (PubChem CID 4824595) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
PubChem CID4824595
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O3S/c1-18(23(27)24-22-13-7-9-19-8-5-6-12-21(19)22)25-14-16-26(17-15-25)30(28,29)20-10-3-2-4-11-20/h2-13,18H,14-17H2,1H3,(H,24,27)
InChIKeyFTGNNACEWQPZMS-UHFFFAOYSA-N
XLogP3.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 9493947
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 55430826
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide
CID 2690459
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2655636
N-naphthalen-1-yl-2-piperazin-1-ylpropanamide
CID 43089580
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-fluorophenyl)propanamide
CID 134038394
(2S)-N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512483
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 8512070
(2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 94762816
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 41168914
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8512506
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 97095808

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide (CID 4824595) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide is CC(C(=O)Nc1cccc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide?
The InChIKey is FTGNNACEWQPZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-18(23(27)24-22-13-7-9-19-8-5-6-12-21(19)22)25-14-16-26(17-15-25)30(28,29)20-10-3-2-4-11-20/h2-13,18H,14-17H2,1H3,(H,24,27).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide has a molecular weight of 423.54 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 4824595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).