4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide

C20H25N3OS — CID 119448903

IUPAC4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C20H25N3OS/c24-20(22-12-15-23-13-10-21-11-14-23)18-8-6-17(7-9-18)16-25-19-4-2-1-3-5-19/h1-9,21H,10-16H2,(H,22,24)
InChIKeyIZTHMRCMTGSYGJ-UHFFFAOYSA-N
MW355.51 g/mol
LogP2.61
Rot. Bonds7

About 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide

4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 119448903) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID119448903
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C20H25N3OS/c24-20(22-12-15-23-13-10-21-11-14-23)18-8-6-17(7-9-18)16-25-19-4-2-1-3-5-19/h1-9,21H,10-16H2,(H,22,24)
InChIKeyIZTHMRCMTGSYGJ-UHFFFAOYSA-N
XLogP2.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448902
4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447831
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide
CID 119509159
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
2-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447369
1,4-diazepan-1-yl-[4-(phenylsulfanylmethyl)phenyl]methanone;hydrochloride
CID 119418401
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
4-benzylsulfanyl-N-pyrrolidin-3-ylbenzamide
CID 119453539

Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide (CID 119448903) is 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide is O=C(NCCN1CCNCC1)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is IZTHMRCMTGSYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c24-20(22-12-15-23-13-10-21-11-14-23)18-8-6-17(7-9-18)16-25-19-4-2-1-3-5-19/h1-9,21H,10-16H2,(H,22,24).
What are the key properties of 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide?
4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 355.51 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 119448903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).