N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide

C15H17F3N2O2S2 — CID 51132350

IUPACN-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCc1cc(C(=O)N2CCSCC2)ccc1NC(=O)CSC(F)(F)F
InChIInChI=1S/C15H17F3N2O2S2/c1-10-8-11(14(22)20-4-6-23-7-5-20)2-3-12(10)19-13(21)9-24-15(16,17)18/h2-3,8H,4-7,9H2,1H3,(H,19,21)
InChIKeyPQHFYZNSPLNIAO-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.38
Rot. Bonds4

About N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide

N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 51132350) has the molecular formula C15H17F3N2O2S2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
PubChem CID51132350
Molecular FormulaC15H17F3N2O2S2
Molecular Weight378.44 g/mol
Exact Mass378.07
IUPAC NameN-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCc1cc(C(=O)N2CCSCC2)ccc1NC(=O)CSC(F)(F)F
InChIInChI=1S/C15H17F3N2O2S2/c1-10-8-11(14(22)20-4-6-23-7-5-20)2-3-12(10)19-13(21)9-24-15(16,17)18/h2-3,8H,4-7,9H2,1H3,(H,19,21)
InChIKeyPQHFYZNSPLNIAO-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119761416
7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride
CID 119761404
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
CID 63211977
4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide
CID 120590934
2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 146085920
N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide
CID 55667551
[3-methyl-4-(prop-2-ynylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 71858060
2-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975715
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119761439
6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119183235
2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521757
4-[[2-(carboxymethylsulfanyl)acetyl]amino]-3-methylbenzoic acid
CID 113427708

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide (CID 51132350) is N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide is Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)CSC(F)(F)F.
What is the InChIKey of N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is PQHFYZNSPLNIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2S2/c1-10-8-11(14(22)20-4-6-23-7-5-20)2-3-12(10)19-13(21)9-24-15(16,17)18/h2-3,8H,4-7,9H2,1H3,(H,19,21).
What are the key properties of N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide?
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 378.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 51132350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).