N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide

C14H23N3O3S — CID 60687796

IUPACN-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-9-15-10-14(18)16-12-5-7-13(8-6-12)21(19,20)17-11(2)3/h5-8,11,15,17H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyUATSNIJLDIFPRL-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.31
Rot. Bonds8

About N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide

N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide (PubChem CID 60687796) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide
PubChem CID60687796
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-9-15-10-14(18)16-12-5-7-13(8-6-12)21(19,20)17-11(2)3/h5-8,11,15,17H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyUATSNIJLDIFPRL-UHFFFAOYSA-N
XLogP1.31
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
CID 54818859
3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide
CID 9219410
4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119685718
5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 79194887
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
CID 51566560
N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]propanamide
CID 2221969
N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide
CID 120715921
2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 58611685
2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9219341

Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide?
The IUPAC name of N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide (CID 60687796) is N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide is CCCNCC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide?
The InChIKey is UATSNIJLDIFPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-9-15-10-14(18)16-12-5-7-13(8-6-12)21(19,20)17-11(2)3/h5-8,11,15,17H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide?
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide has a molecular weight of 313.42 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide is sourced from PubChem (CID 60687796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).