4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide

C20H25N3O5S — CID 108540772

IUPAC4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCNC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-29(26,27)23-17-11-9-16(10-12-17)20(25)22-14-13-21-19(24)8-5-15-28-18-6-3-2-4-7-18/h2-4,6-7,9-12,23H,5,8,13-15H2,1H3,(H,21,24)(H,22,25)
InChIKeyVGBINRCWKXMRRT-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.76
Rot. Bonds11

About 4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide

4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide (PubChem CID 108540772) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
PubChem CID108540772
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCNC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-29(26,27)23-17-11-9-16(10-12-17)20(25)22-14-13-21-19(24)8-5-15-28-18-6-3-2-4-7-18/h2-4,6-7,9-12,23H,5,8,13-15H2,1H3,(H,21,24)(H,22,25)
InChIKeyVGBINRCWKXMRRT-UHFFFAOYSA-N
XLogP1.76
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.76
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

4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108540785
N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
CID 30784558
N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide
CID 42123150
N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957
3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541759
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
ethyl [4-[3-(4-phenoxybutanoylamino)propylcarbamoyl]phenyl] carbonate
CID 108932315
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide
CID 108540814
3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108542336
2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108538068

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide (CID 108540772) is 4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide is CS(=O)(=O)Nc1ccc(C(=O)NCCNC(=O)CCCOc2ccccc2)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
The InChIKey is VGBINRCWKXMRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-29(26,27)23-17-11-9-16(10-12-17)20(25)22-14-13-21-19(24)8-5-15-28-18-6-3-2-4-7-18/h2-4,6-7,9-12,23H,5,8,13-15H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide has a molecular weight of 419.50 g/mol, XLogP of 1.76, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide is sourced from PubChem (CID 108540772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).