2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide

C19H20F3NO3S — CID 55794751

IUPAC2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)NC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H20F3NO3S/c20-19(21,22)18(16-11-5-2-6-12-16)23-17(24)14-27(25,26)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,18H,7,10,13-14H2,(H,23,24)
InChIKeyDQEZDTAPMAEAJN-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.45
Rot. Bonds8

About 2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide

2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide (PubChem CID 55794751) has the molecular formula C19H20F3NO3S and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide
PubChem CID55794751
Molecular FormulaC19H20F3NO3S
Molecular Weight399.43 g/mol
Exact Mass399.11
IUPAC Name2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)NC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H20F3NO3S/c20-19(21,22)18(16-11-5-2-6-12-16)23-17(24)14-27(25,26)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,18H,7,10,13-14H2,(H,23,24)
InChIKeyDQEZDTAPMAEAJN-UHFFFAOYSA-N
XLogP3.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide
CID 39716958
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide
CID 46451382
3-methyl-N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]butanamide
CID 55687715
N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide
CID 38955056
4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide
CID 52652867
2-(3-phenylpropylsulfonyl)-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 86933068
4-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)butanamide
CID 122506545
3-(3-phenylpropylsulfonylmethyl)pentanedioic acid
CID 151959580
2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide
CID 51094643
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide
CID 119574353
2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide
CID 55687459
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide
CID 39293355

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide?
The IUPAC name of 2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide (CID 55794751) is 2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide is O=C(CS(=O)(=O)CCCc1ccccc1)NC(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide?
The InChIKey is DQEZDTAPMAEAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3S/c20-19(21,22)18(16-11-5-2-6-12-16)23-17(24)14-27(25,26)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,18H,7,10,13-14H2,(H,23,24).
What are the key properties of 2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide?
2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide has a molecular weight of 399.43 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropylsulfonyl)-N-(2,2,2-trifluoro-1-phenylethyl)acetamide is sourced from PubChem (CID 55794751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).