2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate

C30H33ClF3N5O7S4 — CID 172797771

IUPAC2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate
SMILESCCN(CC)C(=O)Cc1cnc(NS(=O)(=O)c2cccc(Cl)c2C)s1.CCOC(=O)Cc1cnc(NS(=O)(=O)c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C16H20ClN3O3S2.C14H13F3N2O4S2/c1-4-20(5-2)15(21)9-12-10-18-16(24-12)19-25(22,23)14-8-6-7-13(17)11(14)3;1-2-23-12(20)7-9-8-18-13(24-9)19-25(21,22)11-6-4-3-5-10(11)14(15,16)17/h6-8,10H,4-5,9H2,1-3H3,(H,18,19);3-6,8H,2,7H2,1H3,(H,18,19)
InChIKeyQLEMHGZOMLIUJX-UHFFFAOYSA-N
MW796.34 g/mol
LogP6.38
Rot. Bonds13

About 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate

2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate (PubChem CID 172797771) has the molecular formula C30H33ClF3N5O7S4 and a molecular weight of 796.34 g/mol. Its IUPAC name is 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Name2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate
PubChem CID172797771
Molecular FormulaC30H33ClF3N5O7S4
Molecular Weight796.34 g/mol
Exact Mass795.09
IUPAC Name2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate
SMILESCCN(CC)C(=O)Cc1cnc(NS(=O)(=O)c2cccc(Cl)c2C)s1.CCOC(=O)Cc1cnc(NS(=O)(=O)c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C16H20ClN3O3S2.C14H13F3N2O4S2/c1-4-20(5-2)15(21)9-12-10-18-16(24-12)19-25(22,23)14-8-6-7-13(17)11(14)3;1-2-23-12(20)7-9-8-18-13(24-9)19-25(21,22)11-6-4-3-5-10(11)14(15,16)17/h6-8,10H,4-5,9H2,1-3H3,(H,18,19);3-6,8H,2,7H2,1H3,(H,18,19)
InChIKeyQLEMHGZOMLIUJX-UHFFFAOYSA-N
XLogP6.38
TPSA164.73 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500796.34
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate?
The IUPAC name of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate (CID 172797771) is 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate?
The canonical SMILES for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate is CCN(CC)C(=O)Cc1cnc(NS(=O)(=O)c2cccc(Cl)c2C)s1.CCOC(=O)Cc1cnc(NS(=O)(=O)c2ccccc2C(F)(F)F)s1.
What is the InChIKey of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate?
The InChIKey is QLEMHGZOMLIUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S2.C14H13F3N2O4S2/c1-4-20(5-2)15(21)9-12-10-18-16(24-12)19-25(22,23)14-8-6-7-13(17)11(14)3;1-2-23-12(20)7-9-8-18-13(24-9)19-25(21,22)11-6-4-3-5-10(11)14(15,16)17/h6-8,10H,4-5,9H2,1-3H3,(H,18,19);3-6,8H,2,7H2,1H3,(H,18,19).
What are the key properties of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate?
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate has a molecular weight of 796.34 g/mol, XLogP of 6.38, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-diethylacetamide;ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 172797771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).