N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide

C25H32N4O2S — CID 118724842

IUPACN-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide
SMILESO=S(=O)(CCCN1CCN(c2ccccc2)CC1)NCCNc1cccc2ccccc12
InChIInChI=1S/C25H32N4O2S/c30-32(31,27-15-14-26-25-13-6-9-22-8-4-5-12-24(22)25)21-7-16-28-17-19-29(20-18-28)23-10-2-1-3-11-23/h1-6,8-13,26-27H,7,14-21H2
InChIKeyVAOHZCLCGMZSBZ-UHFFFAOYSA-N
MW452.62 g/mol
LogP3.38
Rot. Bonds10

About N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide

N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide (PubChem CID 118724842) has the molecular formula C25H32N4O2S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide
PubChem CID118724842
Molecular FormulaC25H32N4O2S
Molecular Weight452.62 g/mol
Exact Mass452.22
IUPAC NameN-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide
SMILESO=S(=O)(CCCN1CCN(c2ccccc2)CC1)NCCNc1cccc2ccccc12
InChIInChI=1S/C25H32N4O2S/c30-32(31,27-15-14-26-25-13-6-9-22-8-4-5-12-24(22)25)21-7-16-28-17-19-29(20-18-28)23-10-2-1-3-11-23/h1-6,8-13,26-27H,7,14-21H2
InChIKeyVAOHZCLCGMZSBZ-UHFFFAOYSA-N
XLogP3.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide
CID 118724844
N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propane-1-sulfonamide
CID 118724852
N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide
CID 118724860
N-[2-(naphthalen-1-ylamino)ethyl]-3-(1-phenylethylamino)propane-1-sulfonamide
CID 118724848
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide
CID 60580865
4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide
CID 55641989
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
methyl 4-[3-(4-phenylpiperazin-1-yl)propylsulfamoylmethyl]benzoate
CID 140904101
2-chloro-6-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrimidin-4-amine
CID 53491181
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]isoquinoline-4-sulfonamide;hydrochloride
CID 57398618
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896

Frequently Asked Questions

What is the IUPAC name of N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide?
The IUPAC name of N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide (CID 118724842) is N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide.
What is the SMILES notation for N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide?
The canonical SMILES for N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide is O=S(=O)(CCCN1CCN(c2ccccc2)CC1)NCCNc1cccc2ccccc12.
What is the InChIKey of N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide?
The InChIKey is VAOHZCLCGMZSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2S/c30-32(31,27-15-14-26-25-13-6-9-22-8-4-5-12-24(22)25)21-7-16-28-17-19-29(20-18-28)23-10-2-1-3-11-23/h1-6,8-13,26-27H,7,14-21H2.
What are the key properties of N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide?
N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide has a molecular weight of 452.62 g/mol, XLogP of 3.38, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 118724842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).