1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide

C26H30N4O5S — CID 2946712

IUPAC1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)CCCC2)cc1OC
InChIInChI=1S/C26H30N4O5S/c1-17-15-18(2)28-25(27-17)30-36(32,33)21-10-8-20(9-11-21)29-24(31)26(13-5-6-14-26)19-7-12-22(34-3)23(16-19)35-4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,29,31)(H,27,28,30)
InChIKeyYQGULLWEZXQQPA-UHFFFAOYSA-N
MW510.62 g/mol
LogP4.36
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide

1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide (PubChem CID 2946712) has the molecular formula C26H30N4O5S and a molecular weight of 510.62 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide
PubChem CID2946712
Molecular FormulaC26H30N4O5S
Molecular Weight510.62 g/mol
Exact Mass510.19
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)CCCC2)cc1OC
InChIInChI=1S/C26H30N4O5S/c1-17-15-18(2)28-25(27-17)30-36(32,33)21-10-8-20(9-11-21)29-24(31)26(13-5-6-14-26)19-7-12-22(34-3)23(16-19)35-4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,29,31)(H,27,28,30)
InChIKeyYQGULLWEZXQQPA-UHFFFAOYSA-N
XLogP4.36
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide 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 1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide (CID 2946712) is 1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)CCCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide?
The InChIKey is YQGULLWEZXQQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5S/c1-17-15-18(2)28-25(27-17)30-36(32,33)21-10-8-20(9-11-21)29-24(31)26(13-5-6-14-26)19-7-12-22(34-3)23(16-19)35-4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,29,31)(H,27,28,30).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide?
1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide has a molecular weight of 510.62 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 2946712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).