(2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide

C26H30N2O5S — CID 92677320

IUPAC(2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3cc(C)ccc3C)cc2)cc1
InChIInChI=1S/C26H30N2O5S/c1-5-24(33-25-17-18(3)7-8-19(25)4)26(29)27-20-11-15-23(16-12-20)34(30,31)28-21-9-13-22(14-10-21)32-6-2/h7-17,24,28H,5-6H2,1-4H3,(H,27,29)/t24-/m0/s1
InChIKeyNRYJUXLVEBNUJN-DEOSSOPVSA-N
MW482.60 g/mol
LogP5.30
Rot. Bonds10

About (2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide

(2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide (PubChem CID 92677320) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is (2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide
PubChem CID92677320
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name(2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3cc(C)ccc3C)cc2)cc1
InChIInChI=1S/C26H30N2O5S/c1-5-24(33-25-17-18(3)7-8-19(25)4)26(29)27-20-11-15-23(16-12-20)34(30,31)28-21-9-13-22(14-10-21)32-6-2/h7-17,24,28H,5-6H2,1-4H3,(H,27,29)/t24-/m0/s1
InChIKeyNRYJUXLVEBNUJN-DEOSSOPVSA-N
XLogP5.30
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.60
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43915545
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 94016432
(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076761
2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide
CID 17108697
(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide
CID 99133137
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 17106989
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]butanamide
CID 99949850
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43910321
(2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
CID 94012461
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
CID 4950024
2-(4-fluorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885925
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 4928389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide?
The IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide (CID 92677320) is (2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for (2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for (2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3cc(C)ccc3C)cc2)cc1.
What is the InChIKey of (2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide?
The InChIKey is NRYJUXLVEBNUJN-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-5-24(33-25-17-18(3)7-8-19(25)4)26(29)27-20-11-15-23(16-12-20)34(30,31)28-21-9-13-22(14-10-21)32-6-2/h7-17,24,28H,5-6H2,1-4H3,(H,27,29)/t24-/m0/s1.
What are the key properties of (2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide?
(2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide has a molecular weight of 482.60 g/mol, XLogP of 5.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 92677320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).