2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide

C14H19F3N2OS — CID 43251162

IUPAC2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CSc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H19F3N2OS/c1-8(2)9(3)19-13(20)7-21-12-5-4-10(6-11(12)18)14(15,16)17/h4-6,8-9H,7,18H2,1-3H3,(H,19,20)
InChIKeyJFQRLZNIKIWVIL-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.54
Rot. Bonds5

About 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide

2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide (PubChem CID 43251162) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
PubChem CID43251162
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CSc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H19F3N2OS/c1-8(2)9(3)19-13(20)7-21-12-5-4-10(6-11(12)18)14(15,16)17/h4-6,8-9H,7,18H2,1-3H3,(H,19,20)
InChIKeyJFQRLZNIKIWVIL-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(2-methylpropyl)acetamide
CID 43247404
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43302612
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide
CID 43247407
methyl N-[2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetyl]carbamate
CID 43251143
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 43134958
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N,N-diethylacetamide
CID 43247403
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 43247392
N-[2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide
CID 43251149
2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79147255
2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline
CID 102689474
3-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 43251125
2-(2-amino-4-methylphenyl)sulfanyl-N-propan-2-ylacetamide
CID 43302733

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide (CID 43251162) is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CSc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is JFQRLZNIKIWVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-8(2)9(3)19-13(20)7-21-12-5-4-10(6-11(12)18)14(15,16)17/h4-6,8-9H,7,18H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide?
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 320.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 43251162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).