2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide

C24H22F3N5O4S — CID 122686150

IUPAC2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(C)N(CC(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)ncn1)S(=O)(=O)c1cc2cnccc2o1
InChIInChI=1S/C24H22F3N5O4S/c1-15(2)32(37(34,35)23-9-17-11-28-8-7-21(17)36-23)13-22(33)29-12-19-10-20(31-14-30-19)16-3-5-18(6-4-16)24(25,26)27/h3-11,14-15H,12-13H2,1-2H3,(H,29,33)
InChIKeyMYZUKOALWTXIBK-UHFFFAOYSA-N
MW533.53 g/mol
LogP4.02
Rot. Bonds8

About 2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide

2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide (PubChem CID 122686150) has the molecular formula C24H22F3N5O4S and a molecular weight of 533.53 g/mol. Its IUPAC name is 2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide
PubChem CID122686150
Molecular FormulaC24H22F3N5O4S
Molecular Weight533.53 g/mol
Exact Mass533.13
IUPAC Name2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(C)N(CC(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)ncn1)S(=O)(=O)c1cc2cnccc2o1
InChIInChI=1S/C24H22F3N5O4S/c1-15(2)32(37(34,35)23-9-17-11-28-8-7-21(17)36-23)13-22(33)29-12-19-10-20(31-14-30-19)16-3-5-18(6-4-16)24(25,26)27/h3-11,14-15H,12-13H2,1-2H3,(H,29,33)
InChIKeyMYZUKOALWTXIBK-UHFFFAOYSA-N
XLogP4.02
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of 2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide (CID 122686150) is 2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide is CC(C)N(CC(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)ncn1)S(=O)(=O)c1cc2cnccc2o1.
What is the InChIKey of 2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide?
The InChIKey is MYZUKOALWTXIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O4S/c1-15(2)32(37(34,35)23-9-17-11-28-8-7-21(17)36-23)13-22(33)29-12-19-10-20(31-14-30-19)16-3-5-18(6-4-16)24(25,26)27/h3-11,14-15H,12-13H2,1-2H3,(H,29,33).
What are the key properties of 2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide?
2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide has a molecular weight of 533.53 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furo[3,2-c]pyridin-2-ylsulfonyl(propan-2-yl)amino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 122686150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).