(4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide

C16H19F3N2O4S2 — CID 95271784

IUPAC(4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O4S2/c1-10(2)20(3)15(23)13-8-26-9-21(13)14(22)11-4-6-12(7-5-11)27(24,25)16(17,18)19/h4-7,10,13H,8-9H2,1-3H3/t13-/m0/s1
InChIKeySAHGWOFTCVUMRN-ZDUSSCGKSA-N
MW424.47 g/mol
LogP2.36
Rot. Bonds4

About (4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide

(4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95271784) has the molecular formula C16H19F3N2O4S2 and a molecular weight of 424.47 g/mol. Its IUPAC name is (4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95271784
Molecular FormulaC16H19F3N2O4S2
Molecular Weight424.47 g/mol
Exact Mass424.07
IUPAC Name(4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O4S2/c1-10(2)20(3)15(23)13-8-26-9-21(13)14(22)11-4-6-12(7-5-11)27(24,25)16(17,18)19/h4-7,10,13H,8-9H2,1-3H3/t13-/m0/s1
InChIKeySAHGWOFTCVUMRN-ZDUSSCGKSA-N
XLogP2.36
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-Dioxidotetrahydrothiophen-3-yl)-N-propyl-4-(pyrrolidin-1-ylsulfonyl)benzamide
CID 4838573
N-[2-[[(1S,2R)-2-[(4-methylsulfonylbenzoyl)amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 24801524
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-4-(methylsulfonyl)benzamide
CID 45272523
Benzamide, N,N-diethyl-p-(methylsulfonyl)-
CID 210043
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide
CID 16268994
1-[(2S)-3-methyl-2-[(4-methylsulfonylbenzoyl)amino]butanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
CID 44298922
1-[(2S)-3-methyl-2-[(4-methylsulfanylbenzoyl)amino]butanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
CID 44298945
N-[2-[[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 44453300
N-cyclopropyl-N-[1-(5-fluoro-2-methylsulfonylbenzoyl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 72544205
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 122185779
Benzamide, N,N-diethyl-p-(isopropylsulfonyl)-
CID 210037
N-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(piperidin-1-ylsulfonyl)benzamide
CID 16268900

Frequently Asked Questions

What is the IUPAC name of (4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide (CID 95271784) is (4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide is CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of (4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is SAHGWOFTCVUMRN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19F3N2O4S2/c1-10(2)20(3)15(23)13-8-26-9-21(13)14(22)11-4-6-12(7-5-11)27(24,25)16(17,18)19/h4-7,10,13H,8-9H2,1-3H3/t13-/m0/s1.
What are the key properties of (4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95271784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).