2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C22H21FN2O3S2 — CID 30274175

IUPAC2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H21FN2O3S2/c23-17-10-12-18(13-11-17)25(30(27,28)22-9-4-14-29-22)15-21(26)24-20-8-3-6-16-5-1-2-7-19(16)20/h1-2,4-5,7,9-14,20H,3,6,8,15H2,(H,24,26)/t20-/m0/s1
InChIKeyAZLIYDTVWJBGQM-FQEVSTJZSA-N
MW444.55 g/mol
LogP4.28
Rot. Bonds6

About 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 30274175) has the molecular formula C22H21FN2O3S2 and a molecular weight of 444.55 g/mol. Its IUPAC name is 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID30274175
Molecular FormulaC22H21FN2O3S2
Molecular Weight444.55 g/mol
Exact Mass444.10
IUPAC Name2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H21FN2O3S2/c23-17-10-12-18(13-11-17)25(30(27,28)22-9-4-14-29-22)15-21(26)24-20-8-3-6-16-5-1-2-7-19(16)20/h1-2,4-5,7,9-14,20H,3,6,8,15H2,(H,24,26)/t20-/m0/s1
InChIKeyAZLIYDTVWJBGQM-FQEVSTJZSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]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-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30249986
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43894689
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41113157
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92683840
2-(4-iodo-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30230341
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30229056
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30229779
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92673967
2-(2-methoxy-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30243488
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28544301
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20858807
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30221208

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 30274175) is 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is AZLIYDTVWJBGQM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21FN2O3S2/c23-17-10-12-18(13-11-17)25(30(27,28)22-9-4-14-29-22)15-21(26)24-20-8-3-6-16-5-1-2-7-19(16)20/h1-2,4-5,7,9-14,20H,3,6,8,15H2,(H,24,26)/t20-/m0/s1.
What are the key properties of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 444.55 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 30274175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).