N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide

C20H20FN3O4S2 — CID 27376809

IUPACN-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(CCC(=O)NCc3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C20H20FN3O4S2/c1-28-17-7-9-18(10-8-17)30(26,27)24-20-23-16(13-29-20)6-11-19(25)22-12-14-2-4-15(21)5-3-14/h2-5,7-10,13H,6,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyXHCIYIJSKXJUMX-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.34
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide

N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide (PubChem CID 27376809) has the molecular formula C20H20FN3O4S2 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide
PubChem CID27376809
Molecular FormulaC20H20FN3O4S2
Molecular Weight449.53 g/mol
Exact Mass449.09
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(CCC(=O)NCc3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C20H20FN3O4S2/c1-28-17-7-9-18(10-8-17)30(26,27)24-20-23-16(13-29-20)6-11-19(25)22-12-14-2-4-15(21)5-3-14/h2-5,7-10,13H,6,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyXHCIYIJSKXJUMX-UHFFFAOYSA-N
XLogP3.34
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109088
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide
CID 27376845
3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 110332946
3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 46355112
3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784513
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 109021164
N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572007
2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 18572006
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 25405503
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide (CID 27376809) is N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide is COc1ccc(S(=O)(=O)Nc2nc(CCC(=O)NCc3ccc(F)cc3)cs2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide?
The InChIKey is XHCIYIJSKXJUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4S2/c1-28-17-7-9-18(10-8-17)30(26,27)24-20-23-16(13-29-20)6-11-19(25)22-12-14-2-4-15(21)5-3-14/h2-5,7-10,13H,6,11-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide has a molecular weight of 449.53 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 27376809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).