ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate

C22H25N3O6S — CID 17312299

IUPACethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H25N3O6S/c1-2-31-22(28)25-14-12-24(13-15-25)21(27)18-10-6-7-11-19(18)23-20(26)16-32(29,30)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,26)
InChIKeyHWQRFOLWXQGJAX-UHFFFAOYSA-N
MW459.52 g/mol
LogP2.01
Rot. Bonds6

About ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate

ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate (PubChem CID 17312299) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate
PubChem CID17312299
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC Nameethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H25N3O6S/c1-2-31-22(28)25-14-12-24(13-15-25)21(27)18-10-6-7-11-19(18)23-20(26)16-32(29,30)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,26)
InChIKeyHWQRFOLWXQGJAX-UHFFFAOYSA-N
XLogP2.01
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17309535
ethyl 4-[2-[[2-[(4-chlorophenyl)methylsulfonyl]acetyl]amino]benzoyl]piperazine-1-carboxylate
CID 17225282
2-(4-methylphenyl)sulfonyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17309534
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate
CID 17311893
ethyl 4-[2-[(2,2,2-trichloroacetyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311910
ethyl 4-[2-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate
CID 17311460
ethyl 4-[2-[(3-methylbenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 2984971
ethyl 4-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoyl]piperazine-1-carboxylate
CID 17312009
ethyl 4-[2-(2-ethylhexanoylamino)benzoyl]piperazine-1-carboxylate
CID 17311766
ethyl 4-[2-[(2-nitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311376
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate (CID 17312299) is ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)CS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate?
The InChIKey is HWQRFOLWXQGJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-2-31-22(28)25-14-12-24(13-15-25)21(27)18-10-6-7-11-19(18)23-20(26)16-32(29,30)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,26).
What are the key properties of ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate?
ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate has a molecular weight of 459.52 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 17312299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).