ethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate

C18H25N3O6S — CID 30385367

IUPACethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)CC1
InChIInChI=1S/C18H25N3O6S/c1-3-27-18(23)19-9-11-20(12-10-19)28(24,25)14-6-7-16(26-2)15(13-14)21-8-4-5-17(21)22/h6-7,13H,3-5,8-12H2,1-2H3
InChIKeyJSTZCELMFCZKAV-UHFFFAOYSA-N
MW411.48 g/mol
LogP1.28
Rot. Bonds5

About ethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate

ethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate (PubChem CID 30385367) has the molecular formula C18H25N3O6S and a molecular weight of 411.48 g/mol. Its IUPAC name is ethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate
PubChem CID30385367
Molecular FormulaC18H25N3O6S
Molecular Weight411.48 g/mol
Exact Mass411.15
IUPAC Nameethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)CC1
InChIInChI=1S/C18H25N3O6S/c1-3-27-18(23)19-9-11-20(12-10-19)28(24,25)14-6-7-16(26-2)15(13-14)21-8-4-5-17(21)22/h6-7,13H,3-5,8-12H2,1-2H3
InChIKeyJSTZCELMFCZKAV-UHFFFAOYSA-N
XLogP1.28
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 43908989
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ethyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 8777810
1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]pyrrolidin-2-one
CID 92685712
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46763903
ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate
CID 38011110
ethyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1,4-diazepane-1-carboxylate
CID 110799238
ethyl 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,4-diazepane-1-carboxylate
CID 110799195
1-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]pyrrolidin-2-one
CID 43908177
methyl 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate
CID 110818526
4-methoxy-N,N-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 38015477
ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 6460333

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate (CID 30385367) is ethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)CC1.
What is the InChIKey of ethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate?
The InChIKey is JSTZCELMFCZKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6S/c1-3-27-18(23)19-9-11-20(12-10-19)28(24,25)14-6-7-16(26-2)15(13-14)21-8-4-5-17(21)22/h6-7,13H,3-5,8-12H2,1-2H3.
What are the key properties of ethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate?
ethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate has a molecular weight of 411.48 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 30385367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).