(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide

C20H26N2O4S — CID 9141292

IUPAC(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-13-6-9-16(12-18(13)27(21,24)25)22-19(23)14(2)26-17-10-7-15(8-11-17)20(3,4)5/h6-12,14H,1-5H3,(H,22,23)(H2,21,24,25)/t14-/m0/s1
InChIKeyLRSAYEPTIUPMOF-AWEZNQCLSA-N
MW390.51 g/mol
LogP3.35
Rot. Bonds5

About (2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide

(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide (PubChem CID 9141292) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
PubChem CID9141292
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-13-6-9-16(12-18(13)27(21,24)25)22-19(23)14(2)26-17-10-7-15(8-11-17)20(3,4)5/h6-12,14H,1-5H3,(H,22,23)(H2,21,24,25)/t14-/m0/s1
InChIKeyLRSAYEPTIUPMOF-AWEZNQCLSA-N
XLogP3.35
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 84929872
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 7812070
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 5138475
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide
CID 54781748
(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 8572754
(2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide
CID 40785964
2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
CID 51331861
(2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 26199002
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide (CID 9141292) is (2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide is Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1S(N)(=O)=O.
What is the InChIKey of (2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The InChIKey is LRSAYEPTIUPMOF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-13-6-9-16(12-18(13)27(21,24)25)22-19(23)14(2)26-17-10-7-15(8-11-17)20(3,4)5/h6-12,14H,1-5H3,(H,22,23)(H2,21,24,25)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide has a molecular weight of 390.51 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 9141292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).