N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide

C19H26FN3O3S2 — CID 16944479

IUPACN,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2)nc1C
InChIInChI=1S/C19H26FN3O3S2/c1-4-6-12-23(13-7-5-2)18(24)17-14(3)21-19(27-17)22-28(25,26)16-10-8-15(20)9-11-16/h8-11H,4-7,12-13H2,1-3H3,(H,21,22)
InChIKeyWVVJHKRYSFKGMO-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.43
Rot. Bonds10

About N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide

N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16944479) has the molecular formula C19H26FN3O3S2 and a molecular weight of 427.57 g/mol. Its IUPAC name is N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16944479
Molecular FormulaC19H26FN3O3S2
Molecular Weight427.57 g/mol
Exact Mass427.14
IUPAC NameN,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2)nc1C
InChIInChI=1S/C19H26FN3O3S2/c1-4-6-12-23(13-7-5-2)18(24)17-14(3)21-19(27-17)22-28(25,26)16-10-8-15(20)9-11-16/h8-11H,4-7,12-13H2,1-3H3,(H,21,22)
InChIKeyWVVJHKRYSFKGMO-UHFFFAOYSA-N
XLogP4.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944777
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide
CID 16944627
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 16944507
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944816
butyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16944561
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 16944617
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16802460
N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944549
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944521
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 16944556
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 16944488

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 16944479) is N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide is CCCCN(CCCC)C(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2)nc1C.
What is the InChIKey of N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WVVJHKRYSFKGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3S2/c1-4-6-12-23(13-7-5-2)18(24)17-14(3)21-19(27-17)22-28(25,26)16-10-8-15(20)9-11-16/h8-11H,4-7,12-13H2,1-3H3,(H,21,22).
What are the key properties of N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).