ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate

C20H24N4O5S — CID 46258122

IUPACethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccn2)CC1
InChIInChI=1S/C20H24N4O5S/c1-3-29-20(26)24-13-11-23(12-14-24)19(25)18-15-16(9-10-21-18)22(2)30(27,28)17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3
InChIKeySTWNMZYGCDRNFT-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.82
Rot. Bonds5

About ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate

ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate (PubChem CID 46258122) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate
PubChem CID46258122
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Nameethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccn2)CC1
InChIInChI=1S/C20H24N4O5S/c1-3-29-20(26)24-13-11-23(12-14-24)19(25)18-15-16(9-10-21-18)22(2)30(27,28)17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3
InChIKeySTWNMZYGCDRNFT-UHFFFAOYSA-N
XLogP1.82
TPSA100.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide
CID 20873908
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
ethyl 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109201937
[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208139
ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 3308115
ethyl 4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109215913
ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate
CID 23761964
ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109203480
ethyl 4-[2-[N-(benzenesulfonyl)-3-chloroanilino]acetyl]piperazine-1-carboxylate
CID 2899671
[4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109215179
ethyl 4-[4-(tert-butylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109088681
ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109202328

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate (CID 46258122) is ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccn2)CC1.
What is the InChIKey of ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is STWNMZYGCDRNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-3-29-20(26)24-13-11-23(12-14-24)19(25)18-15-16(9-10-21-18)22(2)30(27,28)17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate?
ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 432.50 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 46258122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).