4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide

C18H20ClN3O4S — CID 3915071

IUPAC4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-12(22-18(24)14-4-6-15(19)7-5-14)17(23)21-11-10-13-2-8-16(9-3-13)27(20,25)26/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyXGSYZRGAAWEQPU-UHFFFAOYSA-N
MW409.90 g/mol
LogP1.46
Rot. Bonds7

About 4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide

4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide (PubChem CID 3915071) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide
PubChem CID3915071
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-12(22-18(24)14-4-6-15(19)7-5-14)17(23)21-11-10-13-2-8-16(9-3-13)27(20,25)26/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyXGSYZRGAAWEQPU-UHFFFAOYSA-N
XLogP1.46
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] (2S)-2-benzamidopropanoate
CID 55937101
N-[(2R)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]furan-2-carboxamide
CID 2468415
4-chloro-N-[1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74645871
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119408578
4-chloro-N-[1-[2-(2-methylpropanoylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 112767742
3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 110310771
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46819760
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
4-chloro-N-[1-[2-(methylamino)ethylamino]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119503902
3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 110301247
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide (CID 3915071) is 4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide is CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide?
The InChIKey is XGSYZRGAAWEQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-12(22-18(24)14-4-6-15(19)7-5-14)17(23)21-11-10-13-2-8-16(9-3-13)27(20,25)26/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24)(H2,20,25,26).
What are the key properties of 4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide?
4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide has a molecular weight of 409.90 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide is sourced from PubChem (CID 3915071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).