2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C25H25FN2O4S — CID 30249986

IUPAC2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H25FN2O4S/c1-32-21-13-15-22(16-14-21)33(30,31)28(20-11-9-19(26)10-12-20)17-25(29)27-24-8-4-6-18-5-2-3-7-23(18)24/h2-3,5,7,9-16,24H,4,6,8,17H2,1H3,(H,27,29)/t24-/m1/s1
InChIKeyVERFJCPXWXTICY-XMMPIXPASA-N
MW468.55 g/mol
LogP4.22
Rot. Bonds7

About 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 30249986) has the molecular formula C25H25FN2O4S and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID30249986
Molecular FormulaC25H25FN2O4S
Molecular Weight468.55 g/mol
Exact Mass468.15
IUPAC Name2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H25FN2O4S/c1-32-21-13-15-22(16-14-21)33(30,31)28(20-11-9-19(26)10-12-20)17-25(29)27-24-8-4-6-18-5-2-3-7-23(18)24/h2-3,5,7,9-16,24H,4,6,8,17H2,1H3,(H,27,29)/t24-/m1/s1
InChIKeyVERFJCPXWXTICY-XMMPIXPASA-N
XLogP4.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-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-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92683840
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30229056
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43894689
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28544301
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43892483
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30274175
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 53279185
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43901647
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30228496
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20858807
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28548010
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43897273

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 30249986) is 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is VERFJCPXWXTICY-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25FN2O4S/c1-32-21-13-15-22(16-14-21)33(30,31)28(20-11-9-19(26)10-12-20)17-25(29)27-24-8-4-6-18-5-2-3-7-23(18)24/h2-3,5,7,9-16,24H,4,6,8,17H2,1H3,(H,27,29)/t24-/m1/s1.
What are the key properties of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 468.55 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 30249986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).