N-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide

C28H24F3N3O4S2 — CID 142263808

IUPACN-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide
SMILESCCCCS(=O)(=O)NC(=O)c1ccccc1NC(=O)c1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C28H24F3N3O4S2/c1-2-3-16-40(37,38)34-26(36)22-6-4-5-7-23(22)32-25(35)19-10-8-18(9-11-19)24-17-39-27(33-24)20-12-14-21(15-13-20)28(29,30)31/h4-15,17H,2-3,16H2,1H3,(H,32,35)(H,34,36)
InChIKeyTXLYUHIMUDBMOS-UHFFFAOYSA-N
MW587.65 g/mol
LogP6.61
Rot. Bonds9

About N-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide

N-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide (PubChem CID 142263808) has the molecular formula C28H24F3N3O4S2 and a molecular weight of 587.65 g/mol. Its IUPAC name is N-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide
PubChem CID142263808
Molecular FormulaC28H24F3N3O4S2
Molecular Weight587.65 g/mol
Exact Mass587.12
IUPAC NameN-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide
SMILESCCCCS(=O)(=O)NC(=O)c1ccccc1NC(=O)c1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C28H24F3N3O4S2/c1-2-3-16-40(37,38)34-26(36)22-6-4-5-7-23(22)32-25(35)19-10-8-18(9-11-19)24-17-39-27(33-24)20-12-14-21(15-13-20)28(29,30)31/h4-15,17H,2-3,16H2,1H3,(H,32,35)(H,34,36)
InChIKeyTXLYUHIMUDBMOS-UHFFFAOYSA-N
XLogP6.61
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.65
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

butyl N-[2-[[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzoyl]amino]phenyl]sulfonylcarbamate
CID 142263832
2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(butylsulfonylcarbamoyl)phenyl]quinoline-6-carboxamide
CID 58874561
N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 142263841
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4680949
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide
CID 154638092
N-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 30346090
N-methyl-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1483692
N-(2-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037594
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide
CID 108782465
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212
N-(2-iodophenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701324

Frequently Asked Questions

What is the IUPAC name of N-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide?
The IUPAC name of N-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide (CID 142263808) is N-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide.
What is the SMILES notation for N-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide?
The canonical SMILES for N-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide is CCCCS(=O)(=O)NC(=O)c1ccccc1NC(=O)c1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of N-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide?
The InChIKey is TXLYUHIMUDBMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N3O4S2/c1-2-3-16-40(37,38)34-26(36)22-6-4-5-7-23(22)32-25(35)19-10-8-18(9-11-19)24-17-39-27(33-24)20-12-14-21(15-13-20)28(29,30)31/h4-15,17H,2-3,16H2,1H3,(H,32,35)(H,34,36).
What are the key properties of N-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide?
N-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide has a molecular weight of 587.65 g/mol, XLogP of 6.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide is sourced from PubChem (CID 142263808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).