N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C20H19F2N3O4S2 — CID 39969633

IUPACN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H19F2N3O4S2/c1-13-12-30-20(27)25(13)10-2-3-19(26)23-14-4-6-15(7-5-14)24-31(28,29)16-8-9-17(21)18(22)11-16/h4-9,11-12,24H,2-3,10H2,1H3,(H,23,26)
InChIKeyCNIQSYGFYPQIOJ-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.72
Rot. Bonds8

About N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 39969633) has the molecular formula C20H19F2N3O4S2 and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID39969633
Molecular FormulaC20H19F2N3O4S2
Molecular Weight467.52 g/mol
Exact Mass467.08
IUPAC NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H19F2N3O4S2/c1-13-12-30-20(27)25(13)10-2-3-19(26)23-14-4-6-15(7-5-14)24-31(28,29)16-8-9-17(21)18(22)11-16/h4-9,11-12,24H,2-3,10H2,1H3,(H,23,26)
InChIKeyCNIQSYGFYPQIOJ-UHFFFAOYSA-N
XLogP3.72
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
CID 26369597
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4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 1119719
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide
CID 17474007
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CID 35336299
N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86920042
N-(4-fluoro-3-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 27667264
N-(3,5-dimethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27162796
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55349074
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 17421640
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55361465
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 39969633) is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is CNIQSYGFYPQIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O4S2/c1-13-12-30-20(27)25(13)10-2-3-19(26)23-14-4-6-15(7-5-14)24-31(28,29)16-8-9-17(21)18(22)11-16/h4-9,11-12,24H,2-3,10H2,1H3,(H,23,26).
What are the key properties of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 467.52 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 39969633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).