3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide

C20H19F2N3O5S2 — CID 46667735

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)n2)cc1OC
InChIInChI=1S/C20H19F2N3O5S2/c1-29-17-6-3-12(9-18(17)30-2)16-11-31-20(24-16)25-19(26)7-8-23-32(27,28)13-4-5-14(21)15(22)10-13/h3-6,9-11,23H,7-8H2,1-2H3,(H,24,25,26)
InChIKeyDGTOYSVTEAIRRY-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.41
Rot. Bonds9

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 46667735) has the molecular formula C20H19F2N3O5S2 and a molecular weight of 483.52 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID46667735
Molecular FormulaC20H19F2N3O5S2
Molecular Weight483.52 g/mol
Exact Mass483.07
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)n2)cc1OC
InChIInChI=1S/C20H19F2N3O5S2/c1-29-17-6-3-12(9-18(17)30-2)16-11-31-20(24-16)25-19(26)7-8-23-32(27,28)13-4-5-14(21)15(22)10-13/h3-6,9-11,23H,7-8H2,1-2H3,(H,24,25,26)
InChIKeyDGTOYSVTEAIRRY-UHFFFAOYSA-N
XLogP3.41
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2594353
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 55363538
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2109084
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26582388
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)propanamide
CID 2091152
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 36539724
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 42994615
3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55342756
4-(2,4-dichlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19183987
3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 16910434

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 46667735) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(-c2csc(NC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)n2)cc1OC.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is DGTOYSVTEAIRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O5S2/c1-29-17-6-3-12(9-18(17)30-2)16-11-31-20(24-16)25-19(26)7-8-23-32(27,28)13-4-5-14(21)15(22)10-13/h3-6,9-11,23H,7-8H2,1-2H3,(H,24,25,26).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 483.52 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 46667735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).