N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide

C28H28N2O5S — CID 17106989

IUPACN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(CC)Oc3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C28H28N2O5S/c1-3-27(35-25-14-9-20-7-5-6-8-21(20)19-25)28(31)29-22-12-17-26(18-13-22)36(32,33)30-23-10-15-24(16-11-23)34-4-2/h5-19,27,30H,3-4H2,1-2H3,(H,29,31)
InChIKeyXMPSVYOAKJIHIF-UHFFFAOYSA-N
MW504.61 g/mol
LogP5.84
Rot. Bonds10

About N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 17106989) has the molecular formula C28H28N2O5S and a molecular weight of 504.61 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
PubChem CID17106989
Molecular FormulaC28H28N2O5S
Molecular Weight504.61 g/mol
Exact Mass504.17
IUPAC NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(CC)Oc3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C28H28N2O5S/c1-3-27(35-25-14-9-20-7-5-6-8-21(20)19-25)28(31)29-22-12-17-26(18-13-22)36(32,33)30-23-10-15-24(16-11-23)34-4-2/h5-19,27,30H,3-4H2,1-2H3,(H,29,31)
InChIKeyXMPSVYOAKJIHIF-UHFFFAOYSA-N
XLogP5.84
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.61
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 46770765
N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284524
(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076761
(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 28636606
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 94864467
(2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677320
(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677148
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 4928389
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923
(2R)-2-naphthalen-1-yloxy-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 92681695

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide (CID 17106989) is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(CC)Oc3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is XMPSVYOAKJIHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5S/c1-3-27(35-25-14-9-20-7-5-6-8-21(20)19-25)28(31)29-22-12-17-26(18-13-22)36(32,33)30-23-10-15-24(16-11-23)34-4-2/h5-19,27,30H,3-4H2,1-2H3,(H,29,31).
What are the key properties of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide?
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 504.61 g/mol, XLogP of 5.84, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 17106989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).