tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate

C25H32Cl2N4O5S — CID 68688536

IUPACtert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)N1CCC(c2ccccn2)(C(C)(C)NC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C25H32Cl2N4O5S/c1-23(2,3)36-22(33)30-37(34,35)31-14-11-25(12-15-31,20-8-6-7-13-28-20)24(4,5)29-21(32)18-10-9-17(26)16-19(18)27/h6-10,13,16H,11-12,14-15H2,1-5H3,(H,29,32)(H,30,33)
InChIKeyVLPJAFPPLRCGDZ-UHFFFAOYSA-N
MW571.53 g/mol
LogP4.70
Rot. Bonds6

About tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate

tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate (PubChem CID 68688536) has the molecular formula C25H32Cl2N4O5S and a molecular weight of 571.53 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate
PubChem CID68688536
Molecular FormulaC25H32Cl2N4O5S
Molecular Weight571.53 g/mol
Exact Mass570.15
IUPAC Nametert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)N1CCC(c2ccccn2)(C(C)(C)NC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C25H32Cl2N4O5S/c1-23(2,3)36-22(33)30-37(34,35)31-14-11-25(12-15-31,20-8-6-7-13-28-20)24(4,5)29-21(32)18-10-9-17(26)16-19(18)27/h6-10,13,16H,11-12,14-15H2,1-5H3,(H,29,32)(H,30,33)
InChIKeyVLPJAFPPLRCGDZ-UHFFFAOYSA-N
XLogP4.70
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.53
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate with MolForge

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Related Compounds

2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide
CID 68898898
methyl 2-[4-[[(2,4-dichlorobenzoyl)amino]methyl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylacetate
CID 57430076
2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide
CID 59003515
2,4-dichloro-N-[(1S)-1-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)ethyl]benzamide
CID 11503999
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
CID 67465657
2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide
CID 68979051
tert-butyl 3-(methoxycarbonylamino)-3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 22236948
tert-butyl 1-[[(2,4-dichlorobenzoyl)amino]methyl]-4-(6-fluoro-2-pyridinyl)piperidine-4-carboxylate
CID 69094291
tert-butyl N-(2-chlorobenzoyl)carbamate
CID 140878254
2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439032
tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate
CID 127264024
2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide
CID 143116406

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate?
The IUPAC name of tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate (CID 68688536) is tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate?
The canonical SMILES for tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate is CC(C)(C)OC(=O)NS(=O)(=O)N1CCC(c2ccccn2)(C(C)(C)NC(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate?
The InChIKey is VLPJAFPPLRCGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N4O5S/c1-23(2,3)36-22(33)30-37(34,35)31-14-11-25(12-15-31,20-8-6-7-13-28-20)24(4,5)29-21(32)18-10-9-17(26)16-19(18)27/h6-10,13,16H,11-12,14-15H2,1-5H3,(H,29,32)(H,30,33).
What are the key properties of tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate?
tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate has a molecular weight of 571.53 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 68688536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).