2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide

C20H25ClN4O3S — CID 45351379

IUPAC2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
SMILESCc1ccc(Cl)cc1N1CCN(C(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C20H25ClN4O3S/c1-14-6-7-16(21)12-19(14)25-10-8-24(9-11-25)15(2)20(26)23-17-4-3-5-18(13-17)29(22,27)28/h3-7,12-13,15H,8-11H2,1-2H3,(H,23,26)(H2,22,27,28)
InChIKeyWGBANQUREXGAMV-UHFFFAOYSA-N
MW436.97 g/mol
LogP2.45
Rot. Bonds5

About 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide (PubChem CID 45351379) has the molecular formula C20H25ClN4O3S and a molecular weight of 436.97 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
PubChem CID45351379
Molecular FormulaC20H25ClN4O3S
Molecular Weight436.97 g/mol
Exact Mass436.13
IUPAC Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
SMILESCc1ccc(Cl)cc1N1CCN(C(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C20H25ClN4O3S/c1-14-6-7-16(21)12-19(14)25-10-8-24(9-11-25)15(2)20(26)23-17-4-3-5-18(13-17)29(22,27)28/h3-7,12-13,15H,8-11H2,1-2H3,(H,23,26)(H2,22,27,28)
InChIKeyWGBANQUREXGAMV-UHFFFAOYSA-N
XLogP2.45
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.97
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9250166
(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 41023511
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 24506732
(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 27159268
(2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide
CID 8591101
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 16597974
(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 92987466
N-(3-sulfamoylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 24507172
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]propanamide
CID 9445035
N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 46054199
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide (CID 45351379) is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide is Cc1ccc(Cl)cc1N1CCN(C(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is WGBANQUREXGAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3S/c1-14-6-7-16(21)12-19(14)25-10-8-24(9-11-25)15(2)20(26)23-17-4-3-5-18(13-17)29(22,27)28/h3-7,12-13,15H,8-11H2,1-2H3,(H,23,26)(H2,22,27,28).
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 436.97 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 45351379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).