N-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide

C29H32N6O4S — CID 68675289

IUPACN-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3ccnc(Nc4ccc(S(=O)(=O)NCCN(C)C)cc4)n3)cc2)cc1
InChIInChI=1S/C29H32N6O4S/c1-35(2)19-18-31-40(37,38)26-14-10-24(11-15-26)33-29-30-17-16-27(34-29)22-6-8-23(9-7-22)32-28(36)20-21-4-12-25(39-3)13-5-21/h4-17,31H,18-20H2,1-3H3,(H,32,36)(H,30,33,34)
InChIKeyPCLSIJPMSQFEDW-UHFFFAOYSA-N
MW560.68 g/mol
LogP3.92
Rot. Bonds12

About N-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide

N-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 68675289) has the molecular formula C29H32N6O4S and a molecular weight of 560.68 g/mol. Its IUPAC name is N-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID68675289
Molecular FormulaC29H32N6O4S
Molecular Weight560.68 g/mol
Exact Mass560.22
IUPAC NameN-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3ccnc(Nc4ccc(S(=O)(=O)NCCN(C)C)cc4)n3)cc2)cc1
InChIInChI=1S/C29H32N6O4S/c1-35(2)19-18-31-40(37,38)26-14-10-24(11-15-26)33-29-30-17-16-27(34-29)22-6-8-23(9-7-22)32-28(36)20-21-4-12-25(39-3)13-5-21/h4-17,31H,18-20H2,1-3H3,(H,32,36)(H,30,33,34)
InChIKeyPCLSIJPMSQFEDW-UHFFFAOYSA-N
XLogP3.92
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.68
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide 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 N-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide (CID 68675289) is N-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(-c3ccnc(Nc4ccc(S(=O)(=O)NCCN(C)C)cc4)n3)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is PCLSIJPMSQFEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O4S/c1-35(2)19-18-31-40(37,38)26-14-10-24(11-15-26)33-29-30-17-16-27(34-29)22-6-8-23(9-7-22)32-28(36)20-21-4-12-25(39-3)13-5-21/h4-17,31H,18-20H2,1-3H3,(H,32,36)(H,30,33,34).
What are the key properties of N-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
N-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 560.68 g/mol, XLogP of 3.92, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[2-(dimethylamino)ethylsulfamoyl]anilino]pyrimidin-4-yl]phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 68675289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).