tert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate

C20H32N4O6S — CID 55932124

IUPACtert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate
SMILESCNS(=O)(=O)c1cc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC
InChIInChI=1S/C20H32N4O6S/c1-20(2,3)30-19(26)24-12-10-23(11-13-24)9-8-22-18(25)15-6-7-16(29-5)17(14-15)31(27,28)21-4/h6-7,14,21H,8-13H2,1-5H3,(H,22,25)
InChIKeyUEJGRYDUPVZOKA-UHFFFAOYSA-N
MW456.57 g/mol
LogP0.89
Rot. Bonds7

About tert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate (PubChem CID 55932124) has the molecular formula C20H32N4O6S and a molecular weight of 456.57 g/mol. Its IUPAC name is tert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate
PubChem CID55932124
Molecular FormulaC20H32N4O6S
Molecular Weight456.57 g/mol
Exact Mass456.20
IUPAC Nametert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate
SMILESCNS(=O)(=O)c1cc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC
InChIInChI=1S/C20H32N4O6S/c1-20(2,3)30-19(26)24-12-10-23(11-13-24)9-8-22-18(25)15-6-7-16(29-5)17(14-15)31(27,28)21-4/h6-7,14,21H,8-13H2,1-5H3,(H,22,25)
InChIKeyUEJGRYDUPVZOKA-UHFFFAOYSA-N
XLogP0.89
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate
CID 55990770
tert-butyl 4-[3-[(4-methoxybenzoyl)amino]propyl]piperazine-1-carboxylate
CID 47038372
4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119432718
4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18105723
tert-butyl 4-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]piperazine-1-carboxylate
CID 55990649
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
tert-butyl 4-[2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]ethyl]piperazine-1-carboxylate
CID 55991289
5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 49071505
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
tert-butyl 4-[2-[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 55991918
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate (CID 55932124) is tert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate is CNS(=O)(=O)c1cc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC.
What is the InChIKey of tert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate?
The InChIKey is UEJGRYDUPVZOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O6S/c1-20(2,3)30-19(26)24-12-10-23(11-13-24)9-8-22-18(25)15-6-7-16(29-5)17(14-15)31(27,28)21-4/h6-7,14,21H,8-13H2,1-5H3,(H,22,25).
What are the key properties of tert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate has a molecular weight of 456.57 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 55932124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).