(2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide

C24H25FN2O4S — CID 92671713

IUPAC(2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C24H25FN2O4S/c1-4-23(31-20-10-6-18(25)7-11-20)24(28)26-19-8-12-21(13-9-19)32(29,30)27-22-14-5-16(2)15-17(22)3/h5-15,23,27H,4H2,1-3H3,(H,26,28)/t23-/m0/s1
InChIKeyMBECAYMRMUVFBD-QHCPKHFHSA-N
MW456.54 g/mol
LogP5.04
Rot. Bonds8

About (2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide

(2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide (PubChem CID 92671713) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is (2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide
PubChem CID92671713
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC Name(2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C24H25FN2O4S/c1-4-23(31-20-10-6-18(25)7-11-20)24(28)26-19-8-12-21(13-9-19)32(29,30)27-22-14-5-16(2)15-17(22)3/h5-15,23,27H,4H2,1-3H3,(H,26,28)/t23-/m0/s1
InChIKeyMBECAYMRMUVFBD-QHCPKHFHSA-N
XLogP5.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885925
(2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
CID 92679459
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
CID 4950024
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 2979779
(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 28636606
2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43915545
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43910321
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
CID 3163982
(2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 26199002
(2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677320
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 4928389
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide (CID 92671713) is (2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of (2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide?
The InChIKey is MBECAYMRMUVFBD-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-4-23(31-20-10-6-18(25)7-11-20)24(28)26-19-8-12-21(13-9-19)32(29,30)27-22-14-5-16(2)15-17(22)3/h5-15,23,27H,4H2,1-3H3,(H,26,28)/t23-/m0/s1.
What are the key properties of (2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide?
(2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide has a molecular weight of 456.54 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 92671713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).