[2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate

C16H18N2O5S2 — CID 25185569

IUPAC[2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccccc1C(=O)Nc1ncc(S(C)(=O)=O)s1
InChIInChI=1S/C16H18N2O5S2/c1-16(2,3)14(20)23-11-8-6-5-7-10(11)13(19)18-15-17-9-12(24-15)25(4,21)22/h5-9H,1-4H3,(H,17,18,19)
InChIKeyJGIFUUDJNPDTTL-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.75
Rot. Bonds4

About [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate

[2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate (PubChem CID 25185569) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate
PubChem CID25185569
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Name[2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccccc1C(=O)Nc1ncc(S(C)(=O)=O)s1
InChIInChI=1S/C16H18N2O5S2/c1-16(2,3)14(20)23-11-8-6-5-7-10(11)13(19)18-15-17-9-12(24-15)25(4,21)22/h5-9H,1-4H3,(H,17,18,19)
InChIKeyJGIFUUDJNPDTTL-UHFFFAOYSA-N
XLogP2.75
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] methanesulfonate
CID 25188599
4-methyl-2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 25188602
2-(2-amino-2-oxoethoxy)-N-(5-tert-butyl-1,3-thiazol-2-yl)benzamide
CID 167804221
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-amino-3,3-dimethylbutanoate
CID 131985850
[2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate
CID 146916166
hydroxy-oxo-[2-[(2-propanoyloxybenzoyl)amino]-1,3-thiazol-5-yl]azanium
CID 153438149
2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzenesulfonic acid
CID 54057467
N-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 155951835
ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate
CID 50908054
N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide
CID 167930528
N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 167969899

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate?
The IUPAC name of [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate (CID 25185569) is [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)Oc1ccccc1C(=O)Nc1ncc(S(C)(=O)=O)s1.
What is the InChIKey of [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate?
The InChIKey is JGIFUUDJNPDTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-16(2,3)14(20)23-11-8-6-5-7-10(11)13(19)18-15-17-9-12(24-15)25(4,21)22/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate?
[2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate has a molecular weight of 382.46 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 25185569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).