[2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

C15H16N2O5S2 — CID 50905061

IUPAC[2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1nc(S(=O)(=O)C(C)C)cs1
InChIInChI=1S/C15H16N2O5S2/c1-9(2)24(20,21)13-8-23-15(16-13)17-14(19)11-6-4-5-7-12(11)22-10(3)18/h4-9H,1-3H3,(H,16,17,19)
InChIKeyCLFWYMFASLNBOO-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.50
Rot. Bonds5

About [2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

[2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (PubChem CID 50905061) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is [2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
PubChem CID50905061
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Name[2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1nc(S(=O)(=O)C(C)C)cs1
InChIInChI=1S/C15H16N2O5S2/c1-9(2)24(20,21)13-8-23-15(16-13)17-14(19)11-6-4-5-7-12(11)22-10(3)18/h4-9H,1-3H3,(H,16,17,19)
InChIKeyCLFWYMFASLNBOO-UHFFFAOYSA-N
XLogP2.50
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
The IUPAC name of [2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (CID 50905061) is [2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)Nc1nc(S(=O)(=O)C(C)C)cs1.
What is the InChIKey of [2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
The InChIKey is CLFWYMFASLNBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-9(2)24(20,21)13-8-23-15(16-13)17-14(19)11-6-4-5-7-12(11)22-10(3)18/h4-9H,1-3H3,(H,16,17,19).
What are the key properties of [2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
[2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate has a molecular weight of 368.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 50905061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).