5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide

C27H32ClN5O4S — CID 25160545

IUPAC5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide
SMILESCNC(=O)c1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC1
InChIInChI=1S/C27H32ClN5O4S/c1-15(2)37-23-13-18(17-10-11-17)19(26(34)29-5)12-22(23)32-27-30-14-20(28)25(33-27)31-21-8-6-7-9-24(21)38(35,36)16(3)4/h6-9,12-17H,10-11H2,1-5H3,(H,29,34)(H2,30,31,32,33)
InChIKeyLVPPCNXWMJWEQV-UHFFFAOYSA-N
MW558.10 g/mol
LogP5.82
Rot. Bonds10

About 5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide

5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide (PubChem CID 25160545) has the molecular formula C27H32ClN5O4S and a molecular weight of 558.10 g/mol. Its IUPAC name is 5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide
PubChem CID25160545
Molecular FormulaC27H32ClN5O4S
Molecular Weight558.10 g/mol
Exact Mass557.19
IUPAC Name5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide
SMILESCNC(=O)c1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC1
InChIInChI=1S/C27H32ClN5O4S/c1-15(2)37-23-13-18(17-10-11-17)19(26(34)29-5)12-22(23)32-27-30-14-20(28)25(33-27)31-21-8-6-7-9-24(21)38(35,36)16(3)4/h6-9,12-17H,10-11H2,1-5H3,(H,29,34)(H2,30,31,32,33)
InChIKeyLVPPCNXWMJWEQV-UHFFFAOYSA-N
XLogP5.82
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.10
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide?
The IUPAC name of 5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide (CID 25160545) is 5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide.
What is the SMILES notation for 5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide?
The canonical SMILES for 5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide is CNC(=O)c1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC1.
What is the InChIKey of 5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide?
The InChIKey is LVPPCNXWMJWEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN5O4S/c1-15(2)37-23-13-18(17-10-11-17)19(26(34)29-5)12-22(23)32-27-30-14-20(28)25(33-27)31-21-8-6-7-9-24(21)38(35,36)16(3)4/h6-9,12-17H,10-11H2,1-5H3,(H,29,34)(H2,30,31,32,33).
What are the key properties of 5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide?
5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide has a molecular weight of 558.10 g/mol, XLogP of 5.82, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-cyclopropyl-N-methyl-4-propan-2-yloxybenzamide is sourced from PubChem (CID 25160545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).