N-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide

C17H19BrFN3O4S2 — CID 155466007

IUPACN-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
SMILESCOc1cc(Br)c(F)cc1NC(=O)C(C)(C)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C17H19BrFN3O4S2/c1-17(2,14-8-27-16(21-14)22-28(24,25)9-4-5-9)15(23)20-12-7-11(19)10(18)6-13(12)26-3/h6-9H,4-5H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyCDOVISMJZHGHAK-UHFFFAOYSA-N
MW492.39 g/mol
LogP3.87
Rot. Bonds7

About N-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide

N-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide (PubChem CID 155466007) has the molecular formula C17H19BrFN3O4S2 and a molecular weight of 492.39 g/mol. Its IUPAC name is N-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
PubChem CID155466007
Molecular FormulaC17H19BrFN3O4S2
Molecular Weight492.39 g/mol
Exact Mass491.00
IUPAC NameN-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
SMILESCOc1cc(Br)c(F)cc1NC(=O)C(C)(C)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C17H19BrFN3O4S2/c1-17(2,14-8-27-16(21-14)22-28(24,25)9-4-5-9)15(23)20-12-7-11(19)10(18)6-13(12)26-3/h6-9H,4-5H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyCDOVISMJZHGHAK-UHFFFAOYSA-N
XLogP3.87
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide
CID 138673862
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-methylpropanamide
CID 138673909
2-[2-(cyclobutylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 138673783
N-[4-(3-cyanophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138673714
6-[4-[[2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoyl]amino]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 138673878
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide
CID 138673738
N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138673795
N-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138674012
N-[4-[2-methyl-3-oxo-4-(4-pyrimidin-5-ylphenyl)butan-2-yl]-1,3-thiazol-2-yl]cyclopropanesulfonamide
CID 158557128
tert-butyl N-(4-bromo-5-fluoro-2-methoxyphenyl)carbamate;carbamic acid
CID 160872477
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide
CID 152650660
ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate
CID 138673871

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide (CID 155466007) is N-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide is COc1cc(Br)c(F)cc1NC(=O)C(C)(C)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of N-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
The InChIKey is CDOVISMJZHGHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN3O4S2/c1-17(2,14-8-27-16(21-14)22-28(24,25)9-4-5-9)15(23)20-12-7-11(19)10(18)6-13(12)26-3/h6-9H,4-5H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
N-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide has a molecular weight of 492.39 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 155466007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).