[3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate

C23H21N3O6S — CID 108927824

IUPAC[3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)c2)c1
InChIInChI=1S/C23H21N3O6S/c1-15(27)32-21-8-3-5-17(13-21)23(29)25-20-7-4-6-19(14-20)24-22(28)16-9-11-18(12-10-16)26-33(2,30)31/h3-14,26H,1-2H3,(H,24,28)(H,25,29)
InChIKeyBRYOVAOGOINOHC-UHFFFAOYSA-N
MW467.50 g/mol
LogP3.49
Rot. Bonds7

About [3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate

[3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate (PubChem CID 108927824) has the molecular formula C23H21N3O6S and a molecular weight of 467.50 g/mol. Its IUPAC name is [3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate
PubChem CID108927824
Molecular FormulaC23H21N3O6S
Molecular Weight467.50 g/mol
Exact Mass467.12
IUPAC Name[3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)c2)c1
InChIInChI=1S/C23H21N3O6S/c1-15(27)32-21-8-3-5-17(13-21)23(29)25-20-7-4-6-19(14-20)24-22(28)16-9-11-18(12-10-16)26-33(2,30)31/h3-14,26H,1-2H3,(H,24,28)(H,25,29)
InChIKeyBRYOVAOGOINOHC-UHFFFAOYSA-N
XLogP3.49
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927899
[3-[4-[4-(methanesulfonamido)benzoyl]piperazine-1-carbonyl]phenyl] acetate
CID 108533205
[3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927861
4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 6459135
[3-[[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927917
[3-[[3-[(5-bromofuran-2-carbonyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927816
[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927681
[3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108928042
[3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927894
N-[3-(methanesulfonamido)phenyl]-3-pyridin-2-yloxybenzamide
CID 72719348
3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351

Frequently Asked Questions

What is the IUPAC name of [3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate (CID 108927824) is [3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)c2)c1.
What is the InChIKey of [3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is BRYOVAOGOINOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6S/c1-15(27)32-21-8-3-5-17(13-21)23(29)25-20-7-4-6-19(14-20)24-22(28)16-9-11-18(12-10-16)26-33(2,30)31/h3-14,26H,1-2H3,(H,24,28)(H,25,29).
What are the key properties of [3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate?
[3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 467.50 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108927824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).