3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide

C14H17BrF3NOS — CID 71685833

IUPAC3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CCSc1ccccc1Br
InChIInChI=1S/C14H17BrF3NOS/c1-10(2)19(9-14(16,17)18)13(20)7-8-21-12-6-4-3-5-11(12)15/h3-6,10H,7-9H2,1-2H3
InChIKeyYUFDCADJWXGKDC-UHFFFAOYSA-N
MW384.26 g/mol
LogP4.73
Rot. Bonds6

About 3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide

3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 71685833) has the molecular formula C14H17BrF3NOS and a molecular weight of 384.26 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID71685833
Molecular FormulaC14H17BrF3NOS
Molecular Weight384.26 g/mol
Exact Mass383.02
IUPAC Name3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CCSc1ccccc1Br
InChIInChI=1S/C14H17BrF3NOS/c1-10(2)19(9-14(16,17)18)13(20)7-8-21-12-6-4-3-5-11(12)15/h3-6,10H,7-9H2,1-2H3
InChIKeyYUFDCADJWXGKDC-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-bromophenyl)sulfanylpropanoyl-methylamino]-2-methylpropanoic acid
CID 119200304
N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide
CID 119653858
3-[3-(2-fluorophenyl)sulfanylpropanoyl-propan-2-ylamino]propanoic acid
CID 60831415
3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide
CID 55760574
2-[3-(2-chlorophenyl)sulfanylpropanoyl-propan-2-ylamino]acetic acid
CID 60832198
N-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide
CID 119996572
N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride
CID 119627225
2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 61109635
6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 103889742
1-bromo-2-(3-methylbutylsulfanyl)benzene
CID 91658466
4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol
CID 79176960
2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629066

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 71685833) is 3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide is CC(C)N(CC(F)(F)F)C(=O)CCSc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YUFDCADJWXGKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NOS/c1-10(2)19(9-14(16,17)18)13(20)7-8-21-12-6-4-3-5-11(12)15/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 384.26 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 71685833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).