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

C27H33N3O7S — CID 142040330

IUPAC2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate
SMILESCOCCOCCOC(=O)Nc1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)C)cc3)cccc12
InChIInChI=1S/C27H33N3O7S/c1-27(2,3)25(31)28-19-11-13-20(14-12-19)30-38(33,34)24-10-6-7-21-22(24)8-5-9-23(21)29-26(32)37-18-17-36-16-15-35-4/h5-14,30H,15-18H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyPYNPZYPZTJAEOI-UHFFFAOYSA-N
MW543.64 g/mol
LogP4.84
Rot. Bonds11

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

2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate (PubChem CID 142040330) has the molecular formula C27H33N3O7S and a molecular weight of 543.64 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate
PubChem CID142040330
Molecular FormulaC27H33N3O7S
Molecular Weight543.64 g/mol
Exact Mass543.20
IUPAC Name2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate
SMILESCOCCOCCOC(=O)Nc1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)C)cc3)cccc12
InChIInChI=1S/C27H33N3O7S/c1-27(2,3)25(31)28-19-11-13-20(14-12-19)30-38(33,34)24-10-6-7-21-22(24)8-5-9-23(21)29-26(32)37-18-17-36-16-15-35-4/h5-14,30H,15-18H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyPYNPZYPZTJAEOI-UHFFFAOYSA-N
XLogP4.84
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.64
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate
CID 15523590
2,2-dimethyl-N-[4-[[5-(2-morpholin-4-ylethylamino)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040370
3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 10141380
4-methoxybutyl N-[5-(4-methoxybutoxycarbonylamino)naphthalen-1-yl]carbamate
CID 86204036
N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 59900306
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
5-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]naphthalene-1-carboxylic acid
CID 11155424
tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate
CID 11739198
N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909
1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea
CID 59656517
2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate
CID 79346430

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate (CID 142040330) is 2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate is COCCOCCOC(=O)Nc1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)C)cc3)cccc12.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate?
The InChIKey is PYNPZYPZTJAEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O7S/c1-27(2,3)25(31)28-19-11-13-20(14-12-19)30-38(33,34)24-10-6-7-21-22(24)8-5-9-23(21)29-26(32)37-18-17-36-16-15-35-4/h5-14,30H,15-18H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of 2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate?
2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate has a molecular weight of 543.64 g/mol, XLogP of 4.84, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate is sourced from PubChem (CID 142040330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).