(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide

C19H24N4O3S — CID 9250166

IUPAC(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H24N4O3S/c1-15(19(24)21-16-6-5-9-18(14-16)27(20,25)26)22-10-12-23(13-11-22)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,21,24)(H2,20,25,26)/t15-/m0/s1
InChIKeyXYWXKVPVPLZMGC-HNNXBMFYSA-N
MW388.49 g/mol
LogP1.48
Rot. Bonds5

About (2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide

(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide (PubChem CID 9250166) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide
PubChem CID9250166
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H24N4O3S/c1-15(19(24)21-16-6-5-9-18(14-16)27(20,25)26)22-10-12-23(13-11-22)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,21,24)(H2,20,25,26)/t15-/m0/s1
InChIKeyXYWXKVPVPLZMGC-HNNXBMFYSA-N
XLogP1.48
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42911835
(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 41023511
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 24506732
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 45351379
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 16597974
N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46800835
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42996416
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41071347
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 3603157
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
N-(3-sulfamoylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 24507172

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide (CID 9250166) is (2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide is C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is XYWXKVPVPLZMGC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-15(19(24)21-16-6-5-9-18(14-16)27(20,25)26)22-10-12-23(13-11-22)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,21,24)(H2,20,25,26)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide?
(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 9250166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).