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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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).