N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide

C21H28N4O4S — CID 46800835

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H28N4O4S/c1-16(24-11-13-25(14-12-24)18-7-9-19(26)10-8-18)21(27)22-17-5-4-6-20(15-17)30(28,29)23(2)3/h4-10,15-16,26H,11-14H2,1-3H3,(H,22,27)
InChIKeyRQOAPBPOWUWJLD-UHFFFAOYSA-N
MW432.55 g/mol
LogP1.79
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide

N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (PubChem CID 46800835) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
PubChem CID46800835
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H28N4O4S/c1-16(24-11-13-25(14-12-24)18-7-9-19(26)10-8-18)21(27)22-17-5-4-6-20(15-17)30(28,29)23(2)3/h4-10,15-16,26H,11-14H2,1-3H3,(H,22,27)
InChIKeyRQOAPBPOWUWJLD-UHFFFAOYSA-N
XLogP1.79
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9250166
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25352078
(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096596
(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-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4264771
(2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096677
N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630982
N-(3,5-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42998885
N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038214
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42996447

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (CID 46800835) is N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is RQOAPBPOWUWJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-16(24-11-13-25(14-12-24)18-7-9-19(26)10-8-18)21(27)22-17-5-4-6-20(15-17)30(28,29)23(2)3/h4-10,15-16,26H,11-14H2,1-3H3,(H,22,27).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 432.55 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 46800835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).