pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate

C28H28N4O5S — CID 15523590

IUPACpyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate
SMILESCC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc3c(NC(=O)OCc4ccncc4)cccc23)cc1
InChIInChI=1S/C28H28N4O5S/c1-28(2,3)26(33)30-20-10-12-21(13-11-20)32-38(35,36)25-9-5-6-22-23(25)7-4-8-24(22)31-27(34)37-18-19-14-16-29-17-15-19/h4-17,32H,18H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyPNUIWOGUSOYAHV-UHFFFAOYSA-N
MW532.62 g/mol
LogP5.77
Rot. Bonds7

About pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate

pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate (PubChem CID 15523590) has the molecular formula C28H28N4O5S and a molecular weight of 532.62 g/mol. Its IUPAC name is pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate.

Molecular Properties

Compound Namepyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate
PubChem CID15523590
Molecular FormulaC28H28N4O5S
Molecular Weight532.62 g/mol
Exact Mass532.18
IUPAC Namepyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate
SMILESCC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc3c(NC(=O)OCc4ccncc4)cccc23)cc1
InChIInChI=1S/C28H28N4O5S/c1-28(2,3)26(33)30-20-10-12-21(13-11-20)32-38(35,36)25-9-5-6-22-23(25)7-4-8-24(22)31-27(34)37-18-19-14-16-29-17-15-19/h4-17,32H,18H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyPNUIWOGUSOYAHV-UHFFFAOYSA-N
XLogP5.77
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.62
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate
CID 142040330
3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 10141380
N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 59900306
2,2-dimethyl-N-[4-[[5-(2-morpholin-4-ylethylamino)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040370
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000
2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 2995900
pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate
CID 117059992
3-fluoro-2,2-dimethyl-N-[4-[[5-(4,4,4-trifluorobutylsulfonylamino)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040386
2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 35185568
pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate
CID 21001
5-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]naphthalene-1-carboxylic acid
CID 11155424
benzyl N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 3440352

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate?
The IUPAC name of pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate (CID 15523590) is pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate.
What is the SMILES notation for pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate?
The canonical SMILES for pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate is CC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc3c(NC(=O)OCc4ccncc4)cccc23)cc1.
What is the InChIKey of pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate?
The InChIKey is PNUIWOGUSOYAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O5S/c1-28(2,3)26(33)30-20-10-12-21(13-11-20)32-38(35,36)25-9-5-6-22-23(25)7-4-8-24(22)31-27(34)37-18-19-14-16-29-17-15-19/h4-17,32H,18H2,1-3H3,(H,30,33)(H,31,34).
What are the key properties of pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate?
pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate has a molecular weight of 532.62 g/mol, XLogP of 5.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate is sourced from PubChem (CID 15523590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).