N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide

C18H16F3NO4S — CID 58862147

IUPACN-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide
SMILESC[C@H](NC(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H16F3NO4S/c1-11(22-17(23)18(19,20)21)12-2-4-14(5-3-12)27(24,25)15-6-7-16-13(10-15)8-9-26-16/h2-7,10-11H,8-9H2,1H3,(H,22,23)/t11-/m0/s1
InChIKeyDPWRYZXWPBOTJR-NSHDSACASA-N
MW399.39 g/mol
LogP3.19
Rot. Bonds4

About N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide

N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 58862147) has the molecular formula C18H16F3NO4S and a molecular weight of 399.39 g/mol. Its IUPAC name is N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide
PubChem CID58862147
Molecular FormulaC18H16F3NO4S
Molecular Weight399.39 g/mol
Exact Mass399.08
IUPAC NameN-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide
SMILESC[C@H](NC(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H16F3NO4S/c1-11(22-17(23)18(19,20)21)12-2-4-14(5-3-12)27(24,25)15-6-7-16-13(10-15)8-9-26-16/h2-7,10-11H,8-9H2,1H3,(H,22,23)/t11-/m0/s1
InChIKeyDPWRYZXWPBOTJR-NSHDSACASA-N
XLogP3.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide 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

N-[(1S)-1-[4-(4-cyclopropylphenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 58651389
5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
CID 23543562
N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807871
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 55611478
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
CID 43777118
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride
CID 114827537
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]acetamide
CID 43754741
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N,N-dimethylpropanamide
CID 43778171
1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 69046080
N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide
CID 166411557

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide (CID 58862147) is N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide is C[C@H](NC(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is DPWRYZXWPBOTJR-NSHDSACASA-N. The full InChI is InChI=1S/C18H16F3NO4S/c1-11(22-17(23)18(19,20)21)12-2-4-14(5-3-12)27(24,25)15-6-7-16-13(10-15)8-9-26-16/h2-7,10-11H,8-9H2,1H3,(H,22,23)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide?
N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 399.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58862147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).