3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide

C20H18ClF2N3O3S2 — CID 11648768

IUPAC3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide
SMILESCC(c1ncc(CCC(N)=O)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClF2N3O3S2/c1-12(20-25-11-15(30-20)5-9-19(24)27)26(18-10-14(22)4-8-17(18)23)31(28,29)16-6-2-13(21)3-7-16/h2-4,6-8,10-12H,5,9H2,1H3,(H2,24,27)
InChIKeyIYXVGNDOFCDJHK-UHFFFAOYSA-N
MW485.97 g/mol
LogP4.45
Rot. Bonds8

About 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide

3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide (PubChem CID 11648768) has the molecular formula C20H18ClF2N3O3S2 and a molecular weight of 485.97 g/mol. Its IUPAC name is 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide.

Molecular Properties

Compound Name3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide
PubChem CID11648768
Molecular FormulaC20H18ClF2N3O3S2
Molecular Weight485.97 g/mol
Exact Mass485.04
IUPAC Name3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide
SMILESCC(c1ncc(CCC(N)=O)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClF2N3O3S2/c1-12(20-25-11-15(30-20)5-9-19(24)27)26(18-10-14(22)4-8-17(18)23)31(28,29)16-6-2-13(21)3-7-16/h2-4,6-8,10-12H,5,9H2,1H3,(H2,24,27)
InChIKeyIYXVGNDOFCDJHK-UHFFFAOYSA-N
XLogP4.45
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.97
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoate
CID 11409449
4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
CID 11497540
4-chloro-N-(2,5-difluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 11502530
3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoic acid
CID 11511451
4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
CID 11518448
3-[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]propanoic acid
CID 11518744
2-[[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl-methylamino]acetamide
CID 11519358
N-tert-butyl-3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide
CID 11519537
4-chloro-N-(2,5-difluorophenyl)-N-[1-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 11532326
5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid
CID 11532675
4-chloro-N-(2,5-difluorophenyl)-N-[1-[4-methyl-5-[(5-oxo-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
CID 11534127
3-[[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-4-methyl-1,3-thiazol-5-yl]methylamino]propanamide
CID 11555538

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide?
The IUPAC name of 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide (CID 11648768) is 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide.
What is the SMILES notation for 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide?
The canonical SMILES for 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide is CC(c1ncc(CCC(N)=O)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide?
The InChIKey is IYXVGNDOFCDJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O3S2/c1-12(20-25-11-15(30-20)5-9-19(24)27)26(18-10-14(22)4-8-17(18)23)31(28,29)16-6-2-13(21)3-7-16/h2-4,6-8,10-12H,5,9H2,1H3,(H2,24,27).
What are the key properties of 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide?
3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide has a molecular weight of 485.97 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide is sourced from PubChem (CID 11648768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).