4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide

C23H22FN3O5S — CID 26656829

IUPAC4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H22FN3O5S/c1-2-32-20-10-12-21(13-11-20)33(30,31)27-19-5-3-4-17(15-19)23(29)26-25-22(28)14-16-6-8-18(24)9-7-16/h3-13,15,27H,2,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyIZTLKFQAHHCHEP-UHFFFAOYSA-N
MW471.51 g/mol
LogP3.03
Rot. Bonds8

About 4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide

4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide (PubChem CID 26656829) has the molecular formula C23H22FN3O5S and a molecular weight of 471.51 g/mol. Its IUPAC name is 4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
PubChem CID26656829
Molecular FormulaC23H22FN3O5S
Molecular Weight471.51 g/mol
Exact Mass471.13
IUPAC Name4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H22FN3O5S/c1-2-32-20-10-12-21(13-11-20)33(30,31)27-19-5-3-4-17(15-19)23(29)26-25-22(28)14-16-6-8-18(24)9-7-16/h3-13,15,27H,2,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyIZTLKFQAHHCHEP-UHFFFAOYSA-N
XLogP3.03
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353
N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 31726265
1-[[3-[(4-ethoxyphenyl)sulfonylamino]benzoyl]amino]-3-(2-phenylethyl)thiourea
CID 4847637
N-(2-amino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 9295740
3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide
CID 5061186
N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 46521478
N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 9305876
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26710792
N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide
CID 36655501
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 30860583

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide (CID 26656829) is 4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)Cc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide?
The InChIKey is IZTLKFQAHHCHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O5S/c1-2-32-20-10-12-21(13-11-20)33(30,31)27-19-5-3-4-17(15-19)23(29)26-25-22(28)14-16-6-8-18(24)9-7-16/h3-13,15,27H,2,14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide?
4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide has a molecular weight of 471.51 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 26656829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).