tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate

C25H33N3O5S — CID 55736695

IUPACtert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate
SMILESCc1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C25H33N3O5S/c1-18-10-11-20(16-22(18)34(31,32)26-17-19-8-6-5-7-9-19)23(29)28-14-12-21(13-15-28)27-24(30)33-25(2,3)4/h5-11,16,21,26H,12-15,17H2,1-4H3,(H,27,30)
InChIKeyOKFOYTZJOUFIIC-UHFFFAOYSA-N
MW487.62 g/mol
LogP3.60
Rot. Bonds6

About tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate (PubChem CID 55736695) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate
PubChem CID55736695
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC Nametert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate
SMILESCc1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C25H33N3O5S/c1-18-10-11-20(16-22(18)34(31,32)26-17-19-8-6-5-7-9-19)23(29)28-14-12-21(13-15-28)27-24(30)33-25(2,3)4/h5-11,16,21,26H,12-15,17H2,1-4H3,(H,27,30)
InChIKeyOKFOYTZJOUFIIC-UHFFFAOYSA-N
XLogP3.60
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N-benzyl-2-methylbenzenesulfonamide
CID 8732788
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
N-benzyl-2-methyl-5-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 24660910
tert-butyl N-[1-(4-methyl-3-nitrobenzoyl)piperidin-4-yl]carbamate
CID 55736035
tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736788
N-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide
CID 146093149
tert-butyl N-[1-(3-iodobenzoyl)piperidin-4-yl]carbamate
CID 55868992
2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 24642630
benzyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 142005504
N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide
CID 143783654
5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
CID 53103847

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate (CID 55736695) is tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate is Cc1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate?
The InChIKey is OKFOYTZJOUFIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-18-10-11-20(16-22(18)34(31,32)26-17-19-8-6-5-7-9-19)23(29)28-14-12-21(13-15-28)27-24(30)33-25(2,3)4/h5-11,16,21,26H,12-15,17H2,1-4H3,(H,27,30).
What are the key properties of tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate has a molecular weight of 487.62 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 55736695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).