2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide

C22H25ClN6O4S — CID 68871302

IUPAC2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide
SMILESCc1ccc(Nc2ncc(C)c(Nc3ccc(OCC(=O)N(C)C)c(Cl)c3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C22H25ClN6O4S/c1-13-5-6-16(10-19(13)34(24,31)32)27-22-25-11-14(2)21(28-22)26-15-7-8-18(17(23)9-15)33-12-20(30)29(3)4/h5-11H,12H2,1-4H3,(H2,24,31,32)(H2,25,26,27,28)
InChIKeyGWGOEXLEOGAHBT-UHFFFAOYSA-N
MW505.00 g/mol
LogP3.35
Rot. Bonds8

About 2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide

2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide (PubChem CID 68871302) has the molecular formula C22H25ClN6O4S and a molecular weight of 505.00 g/mol. Its IUPAC name is 2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide
PubChem CID68871302
Molecular FormulaC22H25ClN6O4S
Molecular Weight505.00 g/mol
Exact Mass504.13
IUPAC Name2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide
SMILESCc1ccc(Nc2ncc(C)c(Nc3ccc(OCC(=O)N(C)C)c(Cl)c3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C22H25ClN6O4S/c1-13-5-6-16(10-19(13)34(24,31)32)27-22-25-11-14(2)21(28-22)26-15-7-8-18(17(23)9-15)33-12-20(30)29(3)4/h5-11H,12H2,1-4H3,(H2,24,31,32)(H2,25,26,27,28)
InChIKeyGWGOEXLEOGAHBT-UHFFFAOYSA-N
XLogP3.35
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.00
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide 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-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N-methylacetamide
CID 68873994
2-[2-chloro-4-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide
CID 68872282
2-[2-fluoro-4-[[5-methyl-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide
CID 68871284
5-[[4-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 25187810
2-methyl-5-[[5-methyl-2-(4-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 25070977
2-methyl-5-[[5-methyl-4-[4-[(2,2,2-trifluoroethylsulfonylamino)methyl]anilino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 24743767
4-N-(3-chloro-4-methoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80762990
5-[[5-bromo-4-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 58891290
ethyl (E)-3-[4-[[4-[3-(tert-butylsulfonylamino)-4-chloroanilino]-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enoate
CID 162514093
2-methyl-5-[[5-methyl-4-[[1-(3-methylsulfanylpropyl)indazol-5-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 67047012
5-[[2-[3-chloro-4-[2-(diethylamino)ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659874
2-methyl-5-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzothiazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 67047726

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide (CID 68871302) is 2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide is Cc1ccc(Nc2ncc(C)c(Nc3ccc(OCC(=O)N(C)C)c(Cl)c3)n2)cc1S(N)(=O)=O.
What is the InChIKey of 2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide?
The InChIKey is GWGOEXLEOGAHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O4S/c1-13-5-6-16(10-19(13)34(24,31)32)27-22-25-11-14(2)21(28-22)26-15-7-8-18(17(23)9-15)33-12-20(30)29(3)4/h5-11H,12H2,1-4H3,(H2,24,31,32)(H2,25,26,27,28).
What are the key properties of 2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide?
2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide has a molecular weight of 505.00 g/mol, XLogP of 3.35, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 68871302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).