N-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C18H20F3N3O4S2 — CID 5003462

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCc1csc(NC(=O)CN(CC2CCCO2)S(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H20F3N3O4S2/c1-12-11-29-17(22-12)23-16(25)10-24(9-14-5-3-7-28-14)30(26,27)15-6-2-4-13(8-15)18(19,20)21/h2,4,6,8,11,14H,3,5,7,9-10H2,1H3,(H,22,23,25)
InChIKeyQCVIRFICKRSQCF-UHFFFAOYSA-N
MW463.50 g/mol
LogP3.28
Rot. Bonds7

About N-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 5003462) has the molecular formula C18H20F3N3O4S2 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID5003462
Molecular FormulaC18H20F3N3O4S2
Molecular Weight463.50 g/mol
Exact Mass463.08
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCc1csc(NC(=O)CN(CC2CCCO2)S(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H20F3N3O4S2/c1-12-11-29-17(22-12)23-16(25)10-24(9-14-5-3-7-28-14)30(26,27)15-6-2-4-13(8-15)18(19,20)21/h2,4,6,8,11,14H,3,5,7,9-10H2,1H3,(H,22,23,25)
InChIKeyQCVIRFICKRSQCF-UHFFFAOYSA-N
XLogP3.28
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide 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

N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 5226570
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 5184376
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94175491
N-(3-methylphenyl)-2-[(4-nitrophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 17349606
N-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-2-yl)acetamide
CID 110678002
N-(2,3-dimethylphenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 45352760
N-(2,6-dimethylphenyl)-2-[[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 25409293
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4550149
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 1165499
N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 55352557
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 42771686
N-(3-methylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149674

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 5003462) is N-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is Cc1csc(NC(=O)CN(CC2CCCO2)S(=O)(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is QCVIRFICKRSQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O4S2/c1-12-11-29-17(22-12)23-16(25)10-24(9-14-5-3-7-28-14)30(26,27)15-6-2-4-13(8-15)18(19,20)21/h2,4,6,8,11,14H,3,5,7,9-10H2,1H3,(H,22,23,25).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 463.50 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[oxolan-2-ylmethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 5003462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).