2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide

C18H23N3O3S2 — CID 59634279

IUPAC2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCCc1sc(NC(=O)C(C)(C)S(=O)(=O)N2CCC2)nc1-c1ccccc1
InChIInChI=1S/C18H23N3O3S2/c1-4-14-15(13-9-6-5-7-10-13)19-17(25-14)20-16(22)18(2,3)26(23,24)21-11-8-12-21/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,19,20,22)
InChIKeyFWRPOTNYRFDSFS-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.13
Rot. Bonds6

About 2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide

2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide (PubChem CID 59634279) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide
PubChem CID59634279
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCCc1sc(NC(=O)C(C)(C)S(=O)(=O)N2CCC2)nc1-c1ccccc1
InChIInChI=1S/C18H23N3O3S2/c1-4-14-15(13-9-6-5-7-10-13)19-17(25-14)20-16(22)18(2,3)26(23,24)21-11-8-12-21/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,19,20,22)
InChIKeyFWRPOTNYRFDSFS-UHFFFAOYSA-N
XLogP3.13
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 7121338
(1R,2S,3R,4R)-3-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98300704
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 167971343
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 7349449
2-(4-bromophenyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5227913
5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid
CID 67425132
1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17119299
2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 53239136
tert-butyl 4-[5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 59318081
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 17163599
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4284156
N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 82342240

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The IUPAC name of 2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide (CID 59634279) is 2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide is CCc1sc(NC(=O)C(C)(C)S(=O)(=O)N2CCC2)nc1-c1ccccc1.
What is the InChIKey of 2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The InChIKey is FWRPOTNYRFDSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-4-14-15(13-9-6-5-7-10-13)19-17(25-14)20-16(22)18(2,3)26(23,24)21-11-8-12-21/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,19,20,22).
What are the key properties of 2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide?
2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide has a molecular weight of 393.53 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 59634279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).