N-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide

C19H23N3O5S — CID 4512279

IUPACN-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H23N3O5S/c1-14-7-9-18(10-8-14)28(25,26)22-19(24)20-11-4-12-27-17-6-3-5-16(13-17)21-15(2)23/h3,5-10,13H,4,11-12H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyMFJNKNUVJSHULF-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.41
Rot. Bonds8

About N-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide

N-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide (PubChem CID 4512279) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide
PubChem CID4512279
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H23N3O5S/c1-14-7-9-18(10-8-14)28(25,26)22-19(24)20-11-4-12-27-17-6-3-5-16(13-17)21-15(2)23/h3,5-10,13H,4,11-12H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyMFJNKNUVJSHULF-UHFFFAOYSA-N
XLogP2.41
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.41
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

N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
CID 108883171
1-(4-methylphenyl)sulfonyl-3-[3-(4-methylphenyl)sulfonylpropyl]urea
CID 157413928
N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 3810433
1-(4-methylphenyl)sulfonyl-3-[4-[3-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenoxy]propoxy]phenyl]urea
CID 139757137
N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 74229032
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide
CID 2810841
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
N-[3-[3-[(3-chlorophenyl)carbamothioylamino]propoxy]phenyl]acetamide
CID 3719601
butyl 4-[3-(3-acetamidophenoxy)propylcarbamoylamino]benzoate
CID 3338314

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide?
The IUPAC name of N-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide (CID 4512279) is N-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide?
The InChIKey is MFJNKNUVJSHULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-14-7-9-18(10-8-14)28(25,26)22-19(24)20-11-4-12-27-17-6-3-5-16(13-17)21-15(2)23/h3,5-10,13H,4,11-12H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide?
N-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide has a molecular weight of 405.48 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide is sourced from PubChem (CID 4512279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).