N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide

C22H29N3O3S — CID 20564246

IUPACN-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
SMILESCCCCCCCCCCNC(=O)c1ccc2c(c1)Cc1c([nH]c(=S)[nH]c1=O)O2
InChIInChI=1S/C22H29N3O3S/c1-2-3-4-5-6-7-8-9-12-23-19(26)15-10-11-18-16(13-15)14-17-20(27)24-22(29)25-21(17)28-18/h10-11,13H,2-9,12,14H2,1H3,(H,23,26)(H2,24,25,27,29)
InChIKeyAHOZJGBOJVZYKM-UHFFFAOYSA-N
MW415.56 g/mol
LogP5.00
Rot. Bonds10

About N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide

N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide (PubChem CID 20564246) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
PubChem CID20564246
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
SMILESCCCCCCCCCCNC(=O)c1ccc2c(c1)Cc1c([nH]c(=S)[nH]c1=O)O2
InChIInChI=1S/C22H29N3O3S/c1-2-3-4-5-6-7-8-9-12-23-19(26)15-10-11-18-16(13-15)14-17-20(27)24-22(29)25-21(17)28-18/h10-11,13H,2-9,12,14H2,1H3,(H,23,26)(H2,24,25,27,29)
InChIKeyAHOZJGBOJVZYKM-UHFFFAOYSA-N
XLogP5.00
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

pentyl 4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxylate
CID 20564274
N-(2-hydroxy-2-phenylethyl)-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 88771520
N-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 23457452
N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 23457492
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784488
3,4-diamino-N-dodecylbenzamide
CID 22411166
N-hexyl-3,4-dimethylbenzamide
CID 4523484
N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
4-amino-3-methyl-N-octylbenzamide
CID 115565914

Frequently Asked Questions

What is the IUPAC name of N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide (CID 20564246) is N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide is CCCCCCCCCCNC(=O)c1ccc2c(c1)Cc1c([nH]c(=S)[nH]c1=O)O2.
What is the InChIKey of N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is AHOZJGBOJVZYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-2-3-4-5-6-7-8-9-12-23-19(26)15-10-11-18-16(13-15)14-17-20(27)24-22(29)25-21(17)28-18/h10-11,13H,2-9,12,14H2,1H3,(H,23,26)(H2,24,25,27,29).
What are the key properties of N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 5.00, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 20564246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).