4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide

C18H20N2O4S — CID 41023431

IUPAC4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
SMILESC[C@@H](NC(=O)CCC(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-13(14-7-9-16(10-8-14)25(19,23)24)20-18(22)12-11-17(21)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)(H2,19,23,24)/t13-/m1/s1
InChIKeyPTMSWXCZBPSRCR-CYBMUJFWSA-N
MW360.44 g/mol
LogP2.17
Rot. Bonds7

About 4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide

4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 41023431) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID41023431
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
SMILESC[C@@H](NC(=O)CCC(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-13(14-7-9-16(10-8-14)25(19,23)24)20-18(22)12-11-17(21)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)(H2,19,23,24)/t13-/m1/s1
InChIKeyPTMSWXCZBPSRCR-CYBMUJFWSA-N
XLogP2.17
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 55689802
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41041234
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 7986584
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
CID 134045511
2-(2-chlorophenyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 27758673
2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid
CID 60708265
3-cyclopentyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 8895164
3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51276671

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide (CID 41023431) is 4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide is C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is PTMSWXCZBPSRCR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13(14-7-9-16(10-8-14)25(19,23)24)20-18(22)12-11-17(21)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)(H2,19,23,24)/t13-/m1/s1.
What are the key properties of 4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide?
4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 360.44 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 41023431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).