2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide

C11H16N4O4S — CID 24635394

IUPAC2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C(C)NC(N)=O)cc1
InChIInChI=1S/C11H16N4O4S/c1-7(14-11(12)17)10(16)15-8-3-5-9(6-4-8)20(18,19)13-2/h3-7,13H,1-2H3,(H,15,16)(H3,12,14,17)
InChIKeyQZQLXYKCHMHRDU-UHFFFAOYSA-N
MW300.34 g/mol
LogP-0.41
Rot. Bonds5

About 2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide

2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 24635394) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID24635394
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C(C)NC(N)=O)cc1
InChIInChI=1S/C11H16N4O4S/c1-7(14-11(12)17)10(16)15-8-3-5-9(6-4-8)20(18,19)13-2/h3-7,13H,1-2H3,(H,15,16)(H3,12,14,17)
InChIKeyQZQLXYKCHMHRDU-UHFFFAOYSA-N
XLogP-0.41
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 24641052
2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 79196433
4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 80542754
2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide
CID 60851728
(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide
CID 2366200
2-[4-(methylsulfamoyl)anilino]propanamide
CID 43545637
methyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 4005105
(2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide
CID 107568654
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575
(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219440

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide (CID 24635394) is 2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(NC(=O)C(C)NC(N)=O)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is QZQLXYKCHMHRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-7(14-11(12)17)10(16)15-8-3-5-9(6-4-8)20(18,19)13-2/h3-7,13H,1-2H3,(H,15,16)(H3,12,14,17).
What are the key properties of 2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide?
2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 300.34 g/mol, XLogP of -0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 24635394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).