5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide

C26H26F2N2O4S — CID 73050888

IUPAC5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)cn1C(C)C
InChIInChI=1S/C26H26F2N2O4S/c1-15(2)30-14-21(24(31)23(16(30)3)19-5-4-6-20(12-19)25(27)28)26(32)29-13-17-7-8-22-18(11-17)9-10-35(22,33)34/h4-8,11-12,14-15,25H,9-10,13H2,1-3H3,(H,29,32)
InChIKeyRVFQPSGYMUTLRN-UHFFFAOYSA-N
MW500.57 g/mol
LogP4.60
Rot. Bonds6

About 5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide

5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 73050888) has the molecular formula C26H26F2N2O4S and a molecular weight of 500.57 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID73050888
Molecular FormulaC26H26F2N2O4S
Molecular Weight500.57 g/mol
Exact Mass500.16
IUPAC Name5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)cn1C(C)C
InChIInChI=1S/C26H26F2N2O4S/c1-15(2)30-14-21(24(31)23(16(30)3)19-5-4-6-20(12-19)25(27)28)26(32)29-13-17-7-8-22-18(11-17)9-10-35(22,33)34/h4-8,11-12,14-15,25H,9-10,13H2,1-3H3,(H,29,32)
InChIKeyRVFQPSGYMUTLRN-UHFFFAOYSA-N
XLogP4.60
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.57
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 73050888) is 5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide is Cc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)cn1C(C)C.
What is the InChIKey of 5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is RVFQPSGYMUTLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O4S/c1-15(2)30-14-21(24(31)23(16(30)3)19-5-4-6-20(12-19)25(27)28)26(32)29-13-17-7-8-22-18(11-17)9-10-35(22,33)34/h4-8,11-12,14-15,25H,9-10,13H2,1-3H3,(H,29,32).
What are the key properties of 5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 500.57 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)phenyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 73050888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).