N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide

C20H25N3O3S — CID 110345279

IUPACN-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide
SMILESCN1CCN(S(=O)(=O)CCNC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-22-12-14-23(15-13-22)27(25,26)16-11-21-20(24)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyLSBCEGKBIXHMAY-UHFFFAOYSA-N
MW387.50 g/mol
LogP1.66
Rot. Bonds6

About N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide

N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide (PubChem CID 110345279) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide
PubChem CID110345279
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC NameN-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide
SMILESCN1CCN(S(=O)(=O)CCNC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-22-12-14-23(15-13-22)27(25,26)16-11-21-20(24)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyLSBCEGKBIXHMAY-UHFFFAOYSA-N
XLogP1.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4-phenylbenzamide
CID 41349940
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252
4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881195
3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)benzamide
CID 110287574
N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
CID 56782887
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide
CID 110345257
N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide
CID 7423224
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349917
N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide
CID 7423212
4-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 47031694
3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881239
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
CID 29196125

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide (CID 110345279) is N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide is CN1CCN(S(=O)(=O)CCNC(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide?
The InChIKey is LSBCEGKBIXHMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-22-12-14-23(15-13-22)27(25,26)16-11-21-20(24)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide?
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide has a molecular weight of 387.50 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide is sourced from PubChem (CID 110345279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).