N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide

C22H18FN3O3S2 — CID 36539724

IUPACN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C22H18FN3O3S2/c23-18-7-3-6-17(12-18)20-14-30-22(25-20)26-21(27)10-11-24-31(28,29)19-9-8-15-4-1-2-5-16(15)13-19/h1-9,12-14,24H,10-11H2,(H,25,26,27)
InChIKeyGWYFULISRGIXOH-UHFFFAOYSA-N
MW455.54 g/mol
LogP4.41
Rot. Bonds7

About N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 36539724) has the molecular formula C22H18FN3O3S2 and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID36539724
Molecular FormulaC22H18FN3O3S2
Molecular Weight455.54 g/mol
Exact Mass455.08
IUPAC NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C22H18FN3O3S2/c23-18-7-3-6-17(12-18)20-14-30-22(25-20)26-21(27)10-11-24-31(28,29)19-9-8-15-4-1-2-5-16(15)13-19/h1-9,12-14,24H,10-11H2,(H,25,26,27)
InChIKeyGWYFULISRGIXOH-UHFFFAOYSA-N
XLogP4.41
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32623275
3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 46667735
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 46667855
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide
CID 154805696
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2594353
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
[2-(3-fluorophenyl)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 8676628
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide
CID 4588547
2-(2,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 36539541
4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 36539746

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 36539724) is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1nc(-c2cccc(F)c2)cs1.
What is the InChIKey of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is GWYFULISRGIXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S2/c23-18-7-3-6-17(12-18)20-14-30-22(25-20)26-21(27)10-11-24-31(28,29)19-9-8-15-4-1-2-5-16(15)13-19/h1-9,12-14,24H,10-11H2,(H,25,26,27).
What are the key properties of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 455.54 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 36539724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).