(2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide

C21H27N3OS — CID 42297885

IUPAC(2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide
SMILESCCN1CCN(c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)CC1
InChIInChI=1S/C21H27N3OS/c1-3-23-13-15-24(16-14-23)19-11-9-18(10-12-19)22-21(25)17(2)26-20-7-5-4-6-8-20/h4-12,17H,3,13-16H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyMGQGBAYWEYXKRN-QGZVFWFLSA-N
MW369.53 g/mol
LogP3.95
Rot. Bonds6

About (2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide

(2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide (PubChem CID 42297885) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is (2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide
PubChem CID42297885
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name(2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide
SMILESCCN1CCN(c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)CC1
InChIInChI=1S/C21H27N3OS/c1-3-23-13-15-24(16-14-23)19-11-9-18(10-12-19)22-21(25)17(2)26-20-7-5-4-6-8-20/h4-12,17H,3,13-16H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyMGQGBAYWEYXKRN-QGZVFWFLSA-N
XLogP3.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-(4-ethylphenyl)-2-phenylsulfanylpropanamide
CID 2928214
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide
CID 46807379
N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide
CID 18532520
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 30857945
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
(2S)-2-benzylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 52646335
(2S)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenylsulfanylpropanamide
CID 95118203
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide (CID 42297885) is (2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide is CCN1CCN(c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)CC1.
What is the InChIKey of (2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide?
The InChIKey is MGQGBAYWEYXKRN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-3-23-13-15-24(16-14-23)19-11-9-18(10-12-19)22-21(25)17(2)26-20-7-5-4-6-8-20/h4-12,17H,3,13-16H2,1-2H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide?
(2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide has a molecular weight of 369.53 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 42297885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).