N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide

C29H40N6O5S2 — CID 122428590

IUPACN-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(OC4CCC(N5CCCCC5)CC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C29H40N6O5S2/c1-19-26(40-22-9-7-21(8-10-22)34-11-5-4-6-12-34)25-27(41-19)24(31-29(32-25)35-13-15-39-16-14-35)20-17-23(33-42(3,36)37)28(38-2)30-18-20/h17-18,21-22,33H,4-16H2,1-3H3
InChIKeyNCXFPXYCBUHTSD-UHFFFAOYSA-N
MW616.81 g/mol
LogP4.45
Rot. Bonds8

About N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 122428590) has the molecular formula C29H40N6O5S2 and a molecular weight of 616.81 g/mol. Its IUPAC name is N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
PubChem CID122428590
Molecular FormulaC29H40N6O5S2
Molecular Weight616.81 g/mol
Exact Mass616.25
IUPAC NameN-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(OC4CCC(N5CCCCC5)CC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C29H40N6O5S2/c1-19-26(40-22-9-7-21(8-10-22)34-11-5-4-6-12-34)25-27(41-19)24(31-29(32-25)35-13-15-39-16-14-35)20-17-23(33-42(3,36)37)28(38-2)30-18-20/h17-18,21-22,33H,4-16H2,1-3H3
InChIKeyNCXFPXYCBUHTSD-UHFFFAOYSA-N
XLogP4.45
TPSA119.01 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (CID 122428590) is N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(OC4CCC(N5CCCCC5)CC4)c(C)sc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is NCXFPXYCBUHTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N6O5S2/c1-19-26(40-22-9-7-21(8-10-22)34-11-5-4-6-12-34)25-27(41-19)24(31-29(32-25)35-13-15-39-16-14-35)20-17-23(33-42(3,36)37)28(38-2)30-18-20/h17-18,21-22,33H,4-16H2,1-3H3.
What are the key properties of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 616.81 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(4-piperidin-1-ylcyclohexyl)oxythieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122428590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).