4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide

C19H21N3O4S — CID 31883493

IUPAC4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
SMILESO=C1CN(S(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)CCN1
InChIInChI=1S/C19H21N3O4S/c23-18-14-22(13-12-20-18)27(25,26)17-8-6-16(7-9-17)19(24)21-11-10-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H,21,24)
InChIKeyRAHFSZDLJHOELE-UHFFFAOYSA-N
MW387.46 g/mol
LogP0.78
Rot. Bonds6

About 4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide

4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide (PubChem CID 31883493) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
PubChem CID31883493
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
SMILESO=C1CN(S(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)CCN1
InChIInChI=1S/C19H21N3O4S/c23-18-14-22(13-12-20-18)27(25,26)17-8-6-16(7-9-17)19(24)21-11-10-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H,21,24)
InChIKeyRAHFSZDLJHOELE-UHFFFAOYSA-N
XLogP0.78
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
N-benzyl-4-(3-oxopiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 31868237
N-[[3-(methoxymethyl)phenyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55727586
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31983039
3-(3-oxopiperazin-1-yl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 43053709
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
N-benzyl-3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 38357882
(2S)-3-methyl-2-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butanoic acid
CID 119360362
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55596683
N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31856760

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide (CID 31883493) is 4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide is O=C1CN(S(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)CCN1.
What is the InChIKey of 4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide?
The InChIKey is RAHFSZDLJHOELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c23-18-14-22(13-12-20-18)27(25,26)17-8-6-16(7-9-17)19(24)21-11-10-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H,21,24).
What are the key properties of 4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide?
4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide has a molecular weight of 387.46 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 31883493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).