N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C19H27N3O4S2 — CID 155055805

IUPACN-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C19H27N3O4S2/c1-11(2)22-28(24,25)15-10-13(8-9-14(15)26-7)16-12(3)20-18(27-16)21-17(23)19(4,5)6/h8-11,22H,1-7H3,(H,20,21,23)
InChIKeyMZJYWKICRLQJSQ-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.80
Rot. Bonds6

About N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 155055805) has the molecular formula C19H27N3O4S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID155055805
Molecular FormulaC19H27N3O4S2
Molecular Weight425.58 g/mol
Exact Mass425.14
IUPAC NameN-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C19H27N3O4S2/c1-11(2)22-28(24,25)15-10-13(8-9-14(15)26-7)16-12(3)20-18(27-16)21-17(23)19(4,5)6/h8-11,22H,1-7H3,(H,20,21,23)
InChIKeyMZJYWKICRLQJSQ-UHFFFAOYSA-N
XLogP3.80
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 71550486
N-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 171783641
N-[5-[3-[[4-hydroxy-3-(2-methylpropyl)phenyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 154677931
5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide
CID 171783638
N-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 71549649
1-tert-butyl-3-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 71548663
N-(4-hydroxycyclohexyl)-2-methoxy-5-[4-methyl-2-(propan-2-ylamino)-1,3-thiazol-5-yl]benzenesulfonamide
CID 121452691
N-[5-[4-methoxy-3-[(2-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 89493829
N-[5-[3-[(3-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 71549510
1,1-diethyl-3-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 71548661
5-[2-(3,3-dimethyl-2-oxobutyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)-2-methoxybenzenesulfonamide;2-methylpropane
CID 165078762
[4-[[5-[2-(cyclopentanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]phenyl] acetate
CID 71549228

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 155055805) is N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is COc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is MZJYWKICRLQJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S2/c1-11(2)22-28(24,25)15-10-13(8-9-14(15)26-7)16-12(3)20-18(27-16)21-17(23)19(4,5)6/h8-11,22H,1-7H3,(H,20,21,23).
What are the key properties of N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 425.58 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 155055805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).