N-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide

C19H29N3OS — CID 110185629

IUPACN-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide
SMILESCSCCC(NC(C)=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H29N3OS/c1-17(23)20-19(10-16-24-2)22-14-12-21(13-15-22)11-6-9-18-7-4-3-5-8-18/h3-9,19H,10-16H2,1-2H3,(H,20,23)/b9-6+
InChIKeyASQPFMIYEOVNQM-RMKNXTFCSA-N
MW347.53 g/mol
LogP2.53
Rot. Bonds8

About N-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide

N-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide (PubChem CID 110185629) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is N-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide
PubChem CID110185629
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC NameN-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide
SMILESCSCCC(NC(C)=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H29N3OS/c1-17(23)20-19(10-16-24-2)22-14-12-21(13-15-22)11-6-9-18-7-4-3-5-8-18/h3-9,19H,10-16H2,1-2H3,(H,20,23)/b9-6+
InChIKeyASQPFMIYEOVNQM-RMKNXTFCSA-N
XLogP2.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-methylsulfanyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]amino]butanoic acid
CID 126454167
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
(2R)-N-(methylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 2447593
N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990296
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108983973
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544518
(2R)-N-(4-acetylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 7831719
3-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]sulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
CID 4116088

Frequently Asked Questions

What is the IUPAC name of N-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide?
The IUPAC name of N-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide (CID 110185629) is N-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for N-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide?
The canonical SMILES for N-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide is CSCCC(NC(C)=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide?
The InChIKey is ASQPFMIYEOVNQM-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H29N3OS/c1-17(23)20-19(10-16-24-2)22-14-12-21(13-15-22)11-6-9-18-7-4-3-5-8-18/h3-9,19H,10-16H2,1-2H3,(H,20,23)/b9-6+.
What are the key properties of N-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide?
N-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide has a molecular weight of 347.53 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 110185629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).