N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide

C17H18F3N3O2S — CID 3420321

IUPACN-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
SMILESCCC(C)N(CC(=O)Nc1nccs1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O2S/c1-3-11(2)23(10-14(24)22-16-21-8-9-26-16)15(25)12-4-6-13(7-5-12)17(18,19)20/h4-9,11H,3,10H2,1-2H3,(H,21,22,24)
InChIKeyURUZRTYFJYOANE-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.04
Rot. Bonds6

About N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide

N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 3420321) has the molecular formula C17H18F3N3O2S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID3420321
Molecular FormulaC17H18F3N3O2S
Molecular Weight385.41 g/mol
Exact Mass385.11
IUPAC NameN-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
SMILESCCC(C)N(CC(=O)Nc1nccs1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O2S/c1-3-11(2)23(10-14(24)22-16-21-8-9-26-16)15(25)12-4-6-13(7-5-12)17(18,19)20/h4-9,11H,3,10H2,1-2H3,(H,21,22,24)
InChIKeyURUZRTYFJYOANE-UHFFFAOYSA-N
XLogP4.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 5105483
N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 42768797
(3S)-N-[(2R)-butan-2-yl]-3,5,5-trimethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
CID 7350033
2-methyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoic acid;trifluoromethylbenzene
CID 88598154
4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 3494615
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 47123380
N-[(2R)-butan-2-yl]-N-[3-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-4-(trifluoromethyl)benzamide
CID 93050630
N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4067037
4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide
CID 8762604
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258533
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 814245
2-[(4-tert-butylphenyl)methyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134032

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide (CID 3420321) is N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide is CCC(C)N(CC(=O)Nc1nccs1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is URUZRTYFJYOANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2S/c1-3-11(2)23(10-14(24)22-16-21-8-9-26-16)15(25)12-4-6-13(7-5-12)17(18,19)20/h4-9,11H,3,10H2,1-2H3,(H,21,22,24).
What are the key properties of N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide?
N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 385.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 3420321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).