2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C27H27N3O5S2 — CID 100799144

IUPAC2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCOc1cccc(N(CC(=O)Nc2cccc(-c3csc(C)n3)c2)S(=O)(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C27H27N3O5S2/c1-18-11-12-25(35-4)26(13-18)37(32,33)30(22-9-6-10-23(15-22)34-3)16-27(31)29-21-8-5-7-20(14-21)24-17-36-19(2)28-24/h5-15,17H,16H2,1-4H3,(H,29,31)
InChIKeyJXZJAVARXAZDID-UHFFFAOYSA-N
MW537.66 g/mol
LogP5.28
Rot. Bonds9

About 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 100799144) has the molecular formula C27H27N3O5S2 and a molecular weight of 537.66 g/mol. Its IUPAC name is 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID100799144
Molecular FormulaC27H27N3O5S2
Molecular Weight537.66 g/mol
Exact Mass537.14
IUPAC Name2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCOc1cccc(N(CC(=O)Nc2cccc(-c3csc(C)n3)c2)S(=O)(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C27H27N3O5S2/c1-18-11-12-25(35-4)26(13-18)37(32,33)30(22-9-6-10-23(15-22)34-3)16-27(31)29-21-8-5-7-20(14-21)24-17-36-19(2)28-24/h5-15,17H,16H2,1-4H3,(H,29,31)
InChIKeyJXZJAVARXAZDID-UHFFFAOYSA-N
XLogP5.28
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]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-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100799089
2-[cyclohexyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100800011
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100799018
N-(2,5-difluorophenyl)-2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28548146
2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 28548144
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24648914
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 94861525
N-(4-ethylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126394532
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 94861527
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26429633
2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100797142

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 100799144) is 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is COc1cccc(N(CC(=O)Nc2cccc(-c3csc(C)n3)c2)S(=O)(=O)c2cc(C)ccc2OC)c1.
What is the InChIKey of 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is JXZJAVARXAZDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5S2/c1-18-11-12-25(35-4)26(13-18)37(32,33)30(22-9-6-10-23(15-22)34-3)16-27(31)29-21-8-5-7-20(14-21)24-17-36-19(2)28-24/h5-15,17H,16H2,1-4H3,(H,29,31).
What are the key properties of 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 537.66 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 100799144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).