N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C21H22N2O4S — CID 102555994

IUPACN-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)c2ccccc21)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H22N2O4S/c24-17-7-5-15(6-8-17)16-9-12-23(13-10-16)21(25)22-19-11-14-28(26,27)20-4-2-1-3-18(19)20/h1-9,19,24H,10-14H2,(H,22,25)
InChIKeyFHETWYYOPYXLHQ-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.11
Rot. Bonds2

About N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 102555994) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID102555994
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)c2ccccc21)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H22N2O4S/c24-17-7-5-15(6-8-17)16-9-12-23(13-10-16)21(25)22-19-11-14-28(26,27)20-4-2-1-3-18(19)20/h1-9,19,24H,10-14H2,(H,22,25)
InChIKeyFHETWYYOPYXLHQ-UHFFFAOYSA-N
XLogP3.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-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 N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 102555994) is N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NC1CCS(=O)(=O)c2ccccc21)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is FHETWYYOPYXLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c24-17-7-5-15(6-8-17)16-9-12-23(13-10-16)21(25)22-19-11-14-28(26,27)20-4-2-1-3-18(19)20/h1-9,19,24H,10-14H2,(H,22,25).
What are the key properties of N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 102555994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).