tert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate

C24H34N4O5S — CID 67421157

IUPACtert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(CCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccn1
InChIInChI=1S/C24H34N4O5S/c1-24(2,3)33-23(30)18-28(17-20-9-6-7-15-26-20)16-8-4-5-10-22(29)27-19-11-13-21(14-12-19)34(25,31)32/h6-7,9,11-15H,4-5,8,10,16-18H2,1-3H3,(H,27,29)(H2,25,31,32)
InChIKeyADAYXCQYEDFKHE-UHFFFAOYSA-N
MW490.63 g/mol
LogP3.07
Rot. Bonds12

About tert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate

tert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate (PubChem CID 67421157) has the molecular formula C24H34N4O5S and a molecular weight of 490.63 g/mol. Its IUPAC name is tert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate
PubChem CID67421157
Molecular FormulaC24H34N4O5S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Nametert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(CCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccn1
InChIInChI=1S/C24H34N4O5S/c1-24(2,3)33-23(30)18-28(17-20-9-6-7-15-26-20)16-8-4-5-10-22(29)27-19-11-13-21(14-12-19)34(25,31)32/h6-7,9,11-15H,4-5,8,10,16-18H2,1-3H3,(H,27,29)(H2,25,31,32)
InChIKeyADAYXCQYEDFKHE-UHFFFAOYSA-N
XLogP3.07
TPSA131.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate with MolForge

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Related Compounds

tert-butyl 2-[[6-[6-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]acetate
CID 23248044
methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate
CID 138976785
tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate
CID 118707459
N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide
CID 46999034
15-[carboxymethyl(pyridin-2-ylmethyl)amino]pentadecanoic acid
CID 90804342
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(pyridin-2-ylmethyl)amino]hexanoic acid
CID 177430746
undecyl 8-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(8-oxo-8-undecoxyoctyl)amino]octanoate
CID 177302508
methyl 2-[[(2R)-5-[bis(pyridin-2-ylmethyl)amino]-2-[[2-[[(2R)-5-[bis(pyridin-2-ylmethyl)amino]-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]pentanoyl]amino]acetyl]amino]pentanoyl]amino]acetate
CID 11593228
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
8-[bis(pyridin-2-ylmethyl)amino]octanoic acid
CID 67061848
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide
CID 100664366
2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid
CID 11038734

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate?
The IUPAC name of tert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate (CID 67421157) is tert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate is CC(C)(C)OC(=O)CN(CCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccn1.
What is the InChIKey of tert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate?
The InChIKey is ADAYXCQYEDFKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5S/c1-24(2,3)33-23(30)18-28(17-20-9-6-7-15-26-20)16-8-4-5-10-22(29)27-19-11-13-21(14-12-19)34(25,31)32/h6-7,9,11-15H,4-5,8,10,16-18H2,1-3H3,(H,27,29)(H2,25,31,32).
What are the key properties of tert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate?
tert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate has a molecular weight of 490.63 g/mol, XLogP of 3.07, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[6-oxo-6-(4-sulfamoylanilino)hexyl]-(pyridin-2-ylmethyl)amino]acetate is sourced from PubChem (CID 67421157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).