4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide

C20H25N3O5S — CID 56545981

IUPAC4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-3-29(26,27)23(2)14-4-13-22-20(25)16-7-11-18(12-8-16)28-17-9-5-15(6-10-17)19(21)24/h5-12H,3-4,13-14H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyDOOCZXGSOKVXSC-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.98
Rot. Bonds10

About 4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide

4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide (PubChem CID 56545981) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide
PubChem CID56545981
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-3-29(26,27)23(2)14-4-13-22-20(25)16-7-11-18(12-8-16)28-17-9-5-15(6-10-17)19(21)24/h5-12H,3-4,13-14H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyDOOCZXGSOKVXSC-UHFFFAOYSA-N
XLogP1.98
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide
CID 56546010
4-[[4-(4-carbamoylphenoxy)benzoyl]amino]-N-propylbenzamide
CID 56549078
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 119728935
4-chloro-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-methylsulfonylbenzamide
CID 55963196
N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55721630
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 55693771
4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
CID 17296274
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
ethyl 4-[7-[(4-carbamoylbenzoyl)amino]heptylcarbamoyl]benzoate
CID 58936752
ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
CID 37260222

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide (CID 56545981) is 4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide is CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide?
The InChIKey is DOOCZXGSOKVXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-3-29(26,27)23(2)14-4-13-22-20(25)16-7-11-18(12-8-16)28-17-9-5-15(6-10-17)19(21)24/h5-12H,3-4,13-14H2,1-2H3,(H2,21,24)(H,22,25).
What are the key properties of 4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide?
4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide has a molecular weight of 419.50 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).