N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine

C24H29N3O2S — CID 3845177

IUPACN,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine
SMILESCC(c1ccccc1)N1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1
InChIInChI=1S/C24H29N3O2S/c1-19(20-9-5-4-6-10-20)26-15-17-27(18-16-26)30(28,29)24-14-8-11-21-22(24)12-7-13-23(21)25(2)3/h4-14,19H,15-18H2,1-3H3
InChIKeyMQRIFPWWGYYCSR-UHFFFAOYSA-N
MW423.58 g/mol
LogP3.97
Rot. Bonds5

About N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine

N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine (PubChem CID 3845177) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine
PubChem CID3845177
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC NameN,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine
SMILESCC(c1ccccc1)N1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1
InChIInChI=1S/C24H29N3O2S/c1-19(20-9-5-4-6-10-20)26-15-17-27(18-16-26)30(28,29)24-14-8-11-21-22(24)12-7-13-23(21)25(2)3/h4-14,19H,15-18H2,1-3H3
InChIKeyMQRIFPWWGYYCSR-UHFFFAOYSA-N
XLogP3.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4,7-bis[[5-(dimethylamino)naphthalen-1-yl]sulfonyl]-1,4,7-triazonan-1-yl]sulfonyl]-N,N-dimethylnaphthalen-1-amine
CID 15025915
N,N-dimethyl-5-(4-nitrosopiperazin-1-yl)sulfonylnaphthalen-1-amine
CID 10383124
2-chloro-3-[4-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperazin-1-yl]naphthalene-1,4-dione
CID 101372708
5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine
CID 14098042
[4-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperazin-1-yl]-hydroxyimino-oxidoazanium
CID 136674213
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine
CID 46100949
N,N-dimethyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylnaphthalen-1-amine
CID 3865863
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine
CID 39903994
1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine
CID 6737016
1-[(1R)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30493587
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(1-phenylethyl)piperazine
CID 113074042

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine?
The IUPAC name of N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine (CID 3845177) is N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine.
What is the SMILES notation for N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine?
The canonical SMILES for N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine is CC(c1ccccc1)N1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1.
What is the InChIKey of N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine?
The InChIKey is MQRIFPWWGYYCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-19(20-9-5-4-6-10-20)26-15-17-27(18-16-26)30(28,29)24-14-8-11-21-22(24)12-7-13-23(21)25(2)3/h4-14,19H,15-18H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine?
N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine has a molecular weight of 423.58 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine is sourced from PubChem (CID 3845177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).