N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide

C22H28N2O4S — CID 19243871

IUPACN-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(N3CCCCC3)o2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C22H28N2O4S/c1-17-5-7-18(8-6-17)22(25)24(19-11-14-29(26,27)16-19)15-20-9-10-21(28-20)23-12-3-2-4-13-23/h5-10,19H,2-4,11-16H2,1H3
InChIKeyFLAGWWDFNIGJNJ-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.41
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide

N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide (PubChem CID 19243871) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide
PubChem CID19243871
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(N3CCCCC3)o2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C22H28N2O4S/c1-17-5-7-18(8-6-17)22(25)24(19-11-14-29(26,27)16-19)15-20-9-10-21(28-20)23-12-3-2-4-13-23/h5-10,19H,2-4,11-16H2,1H3
InChIKeyFLAGWWDFNIGJNJ-UHFFFAOYSA-N
XLogP3.41
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide
CID 19243879
N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]thiophene-2-carboxamide
CID 19243899
N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide
CID 19243925
N-(1,1-dioxothiolan-3-yl)-2-oxo-N-[(5-piperidin-1-ylfuran-2-yl)methyl]chromene-3-carboxamide
CID 19243980
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide
CID 19243937
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 7388981
3,4,6-trichloro-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 19243979
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzamide
CID 35043514
N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 40643210
N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-4-methylbenzamide
CID 18817810
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 19244185
N-[(5-bromofuran-2-yl)methyl]-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 42278413

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide (CID 19243871) is N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide is Cc1ccc(C(=O)N(Cc2ccc(N3CCCCC3)o2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide?
The InChIKey is FLAGWWDFNIGJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17-5-7-18(8-6-17)22(25)24(19-11-14-29(26,27)16-19)15-20-9-10-21(28-20)23-12-3-2-4-13-23/h5-10,19H,2-4,11-16H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide?
N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide has a molecular weight of 416.54 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 19243871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).