2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide

C27H29BrN2O4S — CID 43894201

IUPAC2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CC(C)(C)Oc3cc(C)ccc32)c2ccc(Br)cc2)cc1
InChIInChI=1S/C27H29BrN2O4S/c1-18-5-12-22(13-6-18)35(32,33)30(21-10-8-20(28)9-11-21)17-26(31)29-24-16-27(3,4)34-25-15-19(2)7-14-23(24)25/h5-15,24H,16-17H2,1-4H3,(H,29,31)
InChIKeyLJVIYPFXVHFNOJ-UHFFFAOYSA-N
MW557.51 g/mol
LogP5.68
Rot. Bonds6

About 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide

2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide (PubChem CID 43894201) has the molecular formula C27H29BrN2O4S and a molecular weight of 557.51 g/mol. Its IUPAC name is 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
PubChem CID43894201
Molecular FormulaC27H29BrN2O4S
Molecular Weight557.51 g/mol
Exact Mass556.10
IUPAC Name2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CC(C)(C)Oc3cc(C)ccc32)c2ccc(Br)cc2)cc1
InChIInChI=1S/C27H29BrN2O4S/c1-18-5-12-22(13-6-18)35(32,33)30(21-10-8-20(28)9-11-21)17-26(31)29-24-16-27(3,4)34-25-15-19(2)7-14-23(24)25/h5-15,24H,16-17H2,1-4H3,(H,29,31)
InChIKeyLJVIYPFXVHFNOJ-UHFFFAOYSA-N
XLogP5.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.51
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-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-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43894362
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43896835
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43897063
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43892477
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43899067
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132665004
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43897303
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43894014
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43893936
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43897983
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43894361
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 30219272

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
The IUPAC name of 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide (CID 43894201) is 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
The canonical SMILES for 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC(C)(C)Oc3cc(C)ccc32)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
The InChIKey is LJVIYPFXVHFNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29BrN2O4S/c1-18-5-12-22(13-6-18)35(32,33)30(21-10-8-20(28)9-11-21)17-26(31)29-24-16-27(3,4)34-25-15-19(2)7-14-23(24)25/h5-15,24H,16-17H2,1-4H3,(H,29,31).
What are the key properties of 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide has a molecular weight of 557.51 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide is sourced from PubChem (CID 43894201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).