4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide

C20H24FN3O5S — CID 97000634

IUPAC4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O5S/c1-14(24-30(27,28)18-10-4-15(5-11-18)19(22)25)20(26)23-12-2-3-13-29-17-8-6-16(21)7-9-17/h4-11,14,24H,2-3,12-13H2,1H3,(H2,22,25)(H,23,26)/t14-/m1/s1
InChIKeyAKLGWJFOMCMJFT-CQSZACIVSA-N
MW437.49 g/mol
LogP1.57
Rot. Bonds11

About 4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide

4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide (PubChem CID 97000634) has the molecular formula C20H24FN3O5S and a molecular weight of 437.49 g/mol. Its IUPAC name is 4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
PubChem CID97000634
Molecular FormulaC20H24FN3O5S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC Name4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O5S/c1-14(24-30(27,28)18-10-4-15(5-11-18)19(22)25)20(26)23-12-2-3-13-29-17-8-6-16(21)7-9-17/h4-11,14,24H,2-3,12-13H2,1H3,(H2,22,25)(H,23,26)/t14-/m1/s1
InChIKeyAKLGWJFOMCMJFT-CQSZACIVSA-N
XLogP1.57
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
CID 71848474
N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 5181222
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 43872766
N-[(2S)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide
CID 9327605
4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 46597927
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide
CID 87400365
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]-4-methylsulfanylbutanamide
CID 43060845
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide?
The IUPAC name of 4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide (CID 97000634) is 4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for 4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for 4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide is C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCCOc1ccc(F)cc1.
What is the InChIKey of 4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide?
The InChIKey is AKLGWJFOMCMJFT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24FN3O5S/c1-14(24-30(27,28)18-10-4-15(5-11-18)19(22)25)20(26)23-12-2-3-13-29-17-8-6-16(21)7-9-17/h4-11,14,24H,2-3,12-13H2,1H3,(H2,22,25)(H,23,26)/t14-/m1/s1.
What are the key properties of 4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide?
4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide has a molecular weight of 437.49 g/mol, XLogP of 1.57, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 97000634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).