4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide

C22H29N3O3S — CID 7188824

IUPAC4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide
SMILESO=C(CCCc1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S/c26-22(13-7-10-20-8-3-1-4-9-20)23-14-19-29(27,28)25-17-15-24(16-18-25)21-11-5-2-6-12-21/h1-6,8-9,11-12H,7,10,13-19H2,(H,23,26)
InChIKeyMVWVXJYWAKVHHS-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.28
Rot. Bonds9

About 4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide

4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide (PubChem CID 7188824) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide
PubChem CID7188824
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide
SMILESO=C(CCCc1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S/c26-22(13-7-10-20-8-3-1-4-9-20)23-14-19-29(27,28)25-17-15-24(16-18-25)21-11-5-2-6-12-21/h1-6,8-9,11-12H,7,10,13-19H2,(H,23,26)
InChIKeyMVWVXJYWAKVHHS-UHFFFAOYSA-N
XLogP2.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide?
The IUPAC name of 4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide (CID 7188824) is 4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide?
The canonical SMILES for 4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide is O=C(CCCc1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide?
The InChIKey is MVWVXJYWAKVHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c26-22(13-7-10-20-8-3-1-4-9-20)23-14-19-29(27,28)25-17-15-24(16-18-25)21-11-5-2-6-12-21/h1-6,8-9,11-12H,7,10,13-19H2,(H,23,26).
What are the key properties of 4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide?
4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide has a molecular weight of 415.56 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]butanamide is sourced from PubChem (CID 7188824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).