N-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide

C23H23ClN4O3S — CID 139503405

IUPACN-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C23H23ClN4O3S/c1-23(2,20-12-13-25-22(27-20)28-32(30,31)19-10-11-19)21(29)26-18-8-6-15(7-9-18)16-4-3-5-17(24)14-16/h3-9,12-14,19H,10-11H2,1-2H3,(H,26,29)(H,25,27,28)
InChIKeyORAPSQRMTYUKMO-UHFFFAOYSA-N
MW470.98 g/mol
LogP4.62
Rot. Bonds7

About N-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide

N-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide (PubChem CID 139503405) has the molecular formula C23H23ClN4O3S and a molecular weight of 470.98 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
PubChem CID139503405
Molecular FormulaC23H23ClN4O3S
Molecular Weight470.98 g/mol
Exact Mass470.12
IUPAC NameN-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C23H23ClN4O3S/c1-23(2,20-12-13-25-22(27-20)28-32(30,31)19-10-11-19)21(29)26-18-8-6-15(7-9-18)16-4-3-5-17(24)14-16/h3-9,12-14,19H,10-11H2,1-2H3,(H,26,29)(H,25,27,28)
InChIKeyORAPSQRMTYUKMO-UHFFFAOYSA-N
XLogP4.62
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide (CID 139503405) is N-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of N-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
The InChIKey is ORAPSQRMTYUKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3S/c1-23(2,20-12-13-25-22(27-20)28-32(30,31)19-10-11-19)21(29)26-18-8-6-15(7-9-18)16-4-3-5-17(24)14-16/h3-9,12-14,19H,10-11H2,1-2H3,(H,26,29)(H,25,27,28).
What are the key properties of N-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
N-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide has a molecular weight of 470.98 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 139503405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).