N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide

C24H28N6O4S — CID 139509920

IUPACN-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide
SMILESCCC(NC(=O)c1ccc(-c2cncc(OC(C)C)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C24H28N6O4S/c1-4-19(20-11-12-26-24(29-20)30-35(32,33)18-9-10-18)28-23(31)17-7-5-16(6-8-17)21-13-25-14-22(27-21)34-15(2)3/h5-8,11-15,18-19H,4,9-10H2,1-3H3,(H,28,31)(H,26,29,30)
InChIKeyTVMPQKOUKVAQRZ-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.51
Rot. Bonds10

About N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide

N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide (PubChem CID 139509920) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide
PubChem CID139509920
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC NameN-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide
SMILESCCC(NC(=O)c1ccc(-c2cncc(OC(C)C)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C24H28N6O4S/c1-4-19(20-11-12-26-24(29-20)30-35(32,33)18-9-10-18)28-23(31)17-7-5-16(6-8-17)21-13-25-14-22(27-21)34-15(2)3/h5-8,11-15,18-19H,4,9-10H2,1-3H3,(H,28,31)(H,26,29,30)
InChIKeyTVMPQKOUKVAQRZ-UHFFFAOYSA-N
XLogP3.51
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide?
The IUPAC name of N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide (CID 139509920) is N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide.
What is the SMILES notation for N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide?
The canonical SMILES for N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide is CCC(NC(=O)c1ccc(-c2cncc(OC(C)C)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide?
The InChIKey is TVMPQKOUKVAQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-4-19(20-11-12-26-24(29-20)30-35(32,33)18-9-10-18)28-23(31)17-7-5-16(6-8-17)21-13-25-14-22(27-21)34-15(2)3/h5-8,11-15,18-19H,4,9-10H2,1-3H3,(H,28,31)(H,26,29,30).
What are the key properties of N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide?
N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide has a molecular weight of 496.59 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide is sourced from PubChem (CID 139509920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).