N-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide

C23H32N2O5S — CID 167785164

IUPACN-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide
SMILESCCOC1(C(=O)N=S(C)(=O)C2CCN(C(=O)C3CCc4ccccc4O3)CC2)CCC1
InChIInChI=1S/C23H32N2O5S/c1-3-29-23(13-6-14-23)22(27)24-31(2,28)18-11-15-25(16-12-18)21(26)20-10-9-17-7-4-5-8-19(17)30-20/h4-5,7-8,18,20H,3,6,9-16H2,1-2H3
InChIKeyZDAKYBVLGVGXEQ-UHFFFAOYSA-N
MW448.59 g/mol
LogP2.95
Rot. Bonds5

About N-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide

N-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide (PubChem CID 167785164) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide
PubChem CID167785164
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC NameN-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide
SMILESCCOC1(C(=O)N=S(C)(=O)C2CCN(C(=O)C3CCc4ccccc4O3)CC2)CCC1
InChIInChI=1S/C23H32N2O5S/c1-3-29-23(13-6-14-23)22(27)24-31(2,28)18-11-15-25(16-12-18)21(26)20-10-9-17-7-4-5-8-19(17)30-20/h4-5,7-8,18,20H,3,6,9-16H2,1-2H3
InChIKeyZDAKYBVLGVGXEQ-UHFFFAOYSA-N
XLogP2.95
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-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

Related Compounds

8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 72847937
[(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 95725078
3,4-dihydro-2H-chromen-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346744
3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122334181
2,3-dihydro-1-benzofuran-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646983
1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
CID 158725223
3,4-dihydro-2H-chromen-2-yl-[4-[4-(4-methylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]methanone
CID 146074949
3,4-dihydro-2H-chromen-2-yl-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 70710470
3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone
CID 154576445
3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900108
3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methanone
CID 126911894
N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 90651021

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide?
The IUPAC name of N-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide (CID 167785164) is N-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide.
What is the SMILES notation for N-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide?
The canonical SMILES for N-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide is CCOC1(C(=O)N=S(C)(=O)C2CCN(C(=O)C3CCc4ccccc4O3)CC2)CCC1.
What is the InChIKey of N-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide?
The InChIKey is ZDAKYBVLGVGXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-3-29-23(13-6-14-23)22(27)24-31(2,28)18-11-15-25(16-12-18)21(26)20-10-9-17-7-4-5-8-19(17)30-20/h4-5,7-8,18,20H,3,6,9-16H2,1-2H3.
What are the key properties of N-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide?
N-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide is sourced from PubChem (CID 167785164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).