1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone

C20H25N3O3S2 — CID 2451375

IUPAC1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S2/c24-19(22-14-12-21(13-15-22)17-6-2-1-3-7-17)16-18-8-9-20(27-18)28(25,26)23-10-4-5-11-23/h1-3,6-9H,4-5,10-16H2
InChIKeyBADMJDYAMSFCLQ-UHFFFAOYSA-N
MW419.57 g/mol
LogP2.42
Rot. Bonds5

About 1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone

1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone (PubChem CID 2451375) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
PubChem CID2451375
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC Name1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S2/c24-19(22-14-12-21(13-15-22)17-6-2-1-3-7-17)16-18-8-9-20(27-18)28(25,26)23-10-4-5-11-23/h1-3,6-9H,4-5,10-16H2
InChIKeyBADMJDYAMSFCLQ-UHFFFAOYSA-N
XLogP2.42
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone (CID 2451375) is 1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone is O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone?
The InChIKey is BADMJDYAMSFCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c24-19(22-14-12-21(13-15-22)17-6-2-1-3-7-17)16-18-8-9-20(27-18)28(25,26)23-10-4-5-11-23/h1-3,6-9H,4-5,10-16H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone?
1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone has a molecular weight of 419.57 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone is sourced from PubChem (CID 2451375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).