3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide

C20H26ClN3OS — CID 60511690

IUPAC3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESCC(CNC(=O)CCc1ccc(Cl)s1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26ClN3OS/c1-16(15-22-20(25)10-8-18-7-9-19(21)26-18)23-11-13-24(14-12-23)17-5-3-2-4-6-17/h2-7,9,16H,8,10-15H2,1H3,(H,22,25)
InChIKeyQHXMQAKZKPDORW-UHFFFAOYSA-N
MW391.97 g/mol
LogP3.66
Rot. Bonds7

About 3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide

3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide (PubChem CID 60511690) has the molecular formula C20H26ClN3OS and a molecular weight of 391.97 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
PubChem CID60511690
Molecular FormulaC20H26ClN3OS
Molecular Weight391.97 g/mol
Exact Mass391.15
IUPAC Name3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESCC(CNC(=O)CCc1ccc(Cl)s1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26ClN3OS/c1-16(15-22-20(25)10-8-18-7-9-19(21)26-18)23-11-13-24(14-12-23)17-5-3-2-4-6-17/h2-7,9,16H,8,10-15H2,1H3,(H,22,25)
InChIKeyQHXMQAKZKPDORW-UHFFFAOYSA-N
XLogP3.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55695053
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 51658596
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 55694698
2-[cyclopropyl(methyl)amino]-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 60504013
3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652311
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120597574
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55694701
N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide
CID 55695142
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide (CID 60511690) is 3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide is CC(CNC(=O)CCc1ccc(Cl)s1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide?
The InChIKey is QHXMQAKZKPDORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3OS/c1-16(15-22-20(25)10-8-18-7-9-19(21)26-18)23-11-13-24(14-12-23)17-5-3-2-4-6-17/h2-7,9,16H,8,10-15H2,1H3,(H,22,25).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide?
3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide has a molecular weight of 391.97 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 60511690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).