[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate

C19H20N2O6S — CID 1164288

IUPAC[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H20N2O6S/c1-14(22)27-17-6-2-15(3-7-17)19(23)20-16-4-8-18(9-5-16)28(24,25)21-10-12-26-13-11-21/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyOUDIWFBXZPTCER-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.89
Rot. Bonds5

About [4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate

[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate (PubChem CID 1164288) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is [4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate
PubChem CID1164288
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H20N2O6S/c1-14(22)27-17-6-2-15(3-7-17)19(23)20-16-4-8-18(9-5-16)28(24,25)21-10-12-26-13-11-21/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyOUDIWFBXZPTCER-UHFFFAOYSA-N
XLogP1.89
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 17112612
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 4282639
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
1-(4-methoxyphenyl)-3-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiourea
CID 1176488
N-(4-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 17015677

Frequently Asked Questions

What is the IUPAC name of [4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate?
The IUPAC name of [4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate (CID 1164288) is [4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate?
The canonical SMILES for [4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of [4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate?
The InChIKey is OUDIWFBXZPTCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-14(22)27-17-6-2-15(3-7-17)19(23)20-16-4-8-18(9-5-16)28(24,25)21-10-12-26-13-11-21/h2-9H,10-13H2,1H3,(H,20,23).
What are the key properties of [4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate?
[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate has a molecular weight of 404.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 1164288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).