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

C24H26N4O3S — CID 1007679

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-phenylcyclopentane-1-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)n1
InChIInChI=1S/C24H26N4O3S/c1-17-16-18(2)26-23(25-17)28-32(30,31)21-12-10-20(11-13-21)27-22(29)24(14-6-7-15-24)19-8-4-3-5-9-19/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyOMEQLKVBJQLNNB-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.34
Rot. Bonds6

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

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 1007679) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID1007679
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-phenylcyclopentane-1-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)n1
InChIInChI=1S/C24H26N4O3S/c1-17-16-18(2)26-23(25-17)28-32(30,31)21-12-10-20(11-13-21)27-22(29)24(14-6-7-15-24)19-8-4-3-5-9-19/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyOMEQLKVBJQLNNB-UHFFFAOYSA-N
XLogP4.34
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-phenylcyclopentane-1-carboxamide (CID 1007679) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-phenylcyclopentane-1-carboxamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is OMEQLKVBJQLNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-17-16-18(2)26-23(25-17)28-32(30,31)21-12-10-20(11-13-21)27-22(29)24(14-6-7-15-24)19-8-4-3-5-9-19/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,27,29)(H,25,26,28).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-phenylcyclopentane-1-carboxamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 1007679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).