2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide

C16H23F3N2O4S — CID 15118289

IUPAC2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
SMILESCCCOCCCN(CC(N)=O)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O4S/c1-2-8-25-9-4-7-21(11-15(20)22)26(23,24)12-13-5-3-6-14(10-13)16(17,18)19/h3,5-6,10H,2,4,7-9,11-12H2,1H3,(H2,20,22)
InChIKeyCORQQZJILGNLPF-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.14
Rot. Bonds11

About 2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide

2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide (PubChem CID 15118289) has the molecular formula C16H23F3N2O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide.

Molecular Properties

Compound Name2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
PubChem CID15118289
Molecular FormulaC16H23F3N2O4S
Molecular Weight396.43 g/mol
Exact Mass396.13
IUPAC Name2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
SMILESCCCOCCCN(CC(N)=O)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O4S/c1-2-8-25-9-4-7-21(11-15(20)22)26(23,24)12-13-5-3-6-14(10-13)16(17,18)19/h3,5-6,10H,2,4,7-9,11-12H2,1H3,(H2,20,22)
InChIKeyCORQQZJILGNLPF-UHFFFAOYSA-N
XLogP2.14
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]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-[cyanomethyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
CID 15118474
2-[oxiran-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
CID 15118290
2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
CID 15118088
2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetate
CID 19837767
N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide
CID 15118329
2-[(3-tert-butylphenyl)methylsulfonyl-ethylamino]ethanethioamide
CID 19837719
N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120895456
2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide
CID 15118143
N-(cyanomethyl)-N-hex-4-enyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 57155893
N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 119994035
2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106451262
2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide
CID 15118174

Frequently Asked Questions

What is the IUPAC name of 2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide?
The IUPAC name of 2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide (CID 15118289) is 2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide.
What is the SMILES notation for 2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide?
The canonical SMILES for 2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide is CCCOCCCN(CC(N)=O)S(=O)(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide?
The InChIKey is CORQQZJILGNLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O4S/c1-2-8-25-9-4-7-21(11-15(20)22)26(23,24)12-13-5-3-6-14(10-13)16(17,18)19/h3,5-6,10H,2,4,7-9,11-12H2,1H3,(H2,20,22).
What are the key properties of 2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide?
2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide has a molecular weight of 396.43 g/mol, XLogP of 2.14, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide is sourced from PubChem (CID 15118289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).