(2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide

C16H18F3N3O4S2 — CID 164862469

IUPAC(2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide
SMILESCC(C)C[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1nccs1
InChIInChI=1S/C16H18F3N3O4S2/c1-10(2)9-13(14(23)21-15-20-7-8-27-15)22-28(24,25)12-5-3-11(4-6-12)26-16(17,18)19/h3-8,10,13,22H,9H2,1-2H3,(H,20,21,23)/t13-/m1/s1
InChIKeyORGABCYDOFWFJG-CYBMUJFWSA-N
MW437.47 g/mol
LogP3.37
Rot. Bonds8

About (2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide

(2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide (PubChem CID 164862469) has the molecular formula C16H18F3N3O4S2 and a molecular weight of 437.47 g/mol. Its IUPAC name is (2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide.

Molecular Properties

Compound Name(2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide
PubChem CID164862469
Molecular FormulaC16H18F3N3O4S2
Molecular Weight437.47 g/mol
Exact Mass437.07
IUPAC Name(2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide
SMILESCC(C)C[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1nccs1
InChIInChI=1S/C16H18F3N3O4S2/c1-10(2)9-13(14(23)21-15-20-7-8-27-15)22-28(24,25)12-5-3-11(4-6-12)26-16(17,18)19/h3-8,10,13,22H,9H2,1-2H3,(H,20,21,23)/t13-/m1/s1
InChIKeyORGABCYDOFWFJG-CYBMUJFWSA-N
XLogP3.37
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide
CID 110502528
2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide
CID 3265126
2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 3613699
(2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 2118573
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 51144065
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 47739085
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide
CID 25387218
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide
CID 97143321
N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 155168802
4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide
CID 97143316
N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 104873326

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide?
The IUPAC name of (2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide (CID 164862469) is (2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide.
What is the SMILES notation for (2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide?
The canonical SMILES for (2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide is CC(C)C[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1nccs1.
What is the InChIKey of (2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide?
The InChIKey is ORGABCYDOFWFJG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18F3N3O4S2/c1-10(2)9-13(14(23)21-15-20-7-8-27-15)22-28(24,25)12-5-3-11(4-6-12)26-16(17,18)19/h3-8,10,13,22H,9H2,1-2H3,(H,20,21,23)/t13-/m1/s1.
What are the key properties of (2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide?
(2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide has a molecular weight of 437.47 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide is sourced from PubChem (CID 164862469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).