N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide

C30H35N5O8S — CID 18184218

About N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide

N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide (PubChem CID 18184218) has the molecular formula C30H35N5O8S and a molecular weight of 625.70 g/mol. Its IUPAC name is N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide.

Molecular Properties

• Compound Name: N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
• PubChem CID: 18184218
• Molecular Formula: C30H35N5O8S
• Molecular Weight: 625.70 g/mol
• Exact Mass: 625.22
• IUPAC Name: N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
• SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2cc(OC)c(OC)c(OC)c2)nc1OCCN
• InChI: InChI=1S/C30H35N5O8S/c1-18(2)19-11-12-25(32-17-19)44(36,37)35-29-27(43-22-10-8-7-9-21(22)38-3)30(42-14-13-31)34-28(33-29)20-15-23(39-4)26(41-6)24(16-20)40-5/h7-12,15-18H,13-14,31H2,1-6H3,(H,33,34,35)
• InChIKey: FWFZXEXKYZOGNZ-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 166.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.70
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?

The IUPAC name of N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide (CID 18184218) is N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide.

What is the SMILES notation for N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?

The canonical SMILES for N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide is COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2cc(OC)c(OC)c(OC)c2)nc1OCCN.

What is the InChIKey of N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?

The InChIKey is FWFZXEXKYZOGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O8S/c1-18(2)19-11-12-25(32-17-19)44(36,37)35-29-27(43-22-10-8-7-9-21(22)38-3)30(42-14-13-31)34-28(33-29)20-15-23(39-4)26(41-6)24(16-20)40-5/h7-12,15-18H,13-14,31H2,1-6H3,(H,33,34,35).

What are the key properties of N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?

N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide has a molecular weight of 625.70 g/mol, XLogP of 4.63, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 18184218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).