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

C25H28N2O4S — CID 19243925

IUPACN-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide
SMILESO=C(c1cccc2ccccc12)N(Cc1ccc(N2CCCCC2)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C25H28N2O4S/c28-25(23-10-6-8-19-7-2-3-9-22(19)23)27(20-13-16-32(29,30)18-20)17-21-11-12-24(31-21)26-14-4-1-5-15-26/h2-3,6-12,20H,1,4-5,13-18H2
InChIKeyGGIUAKANBTTYLH-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.25
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide (PubChem CID 19243925) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide
PubChem CID19243925
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide
SMILESO=C(c1cccc2ccccc12)N(Cc1ccc(N2CCCCC2)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C25H28N2O4S/c28-25(23-10-6-8-19-7-2-3-9-22(19)23)27(20-13-16-32(29,30)18-20)17-21-11-12-24(31-21)26-14-4-1-5-15-26/h2-3,6-12,20H,1,4-5,13-18H2
InChIKeyGGIUAKANBTTYLH-UHFFFAOYSA-N
XLogP4.25
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-oxo-N-[(5-piperidin-1-ylfuran-2-yl)methyl]chromene-3-carboxamide
CID 19243980
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)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide
CID 19243871
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-(thiophen-2-ylmethyl)naphthalene-1-carboxamide
CID 3366243
3,4,6-trichloro-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 19243979
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide
CID 19243937
N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide
CID 17014011
N-(1,1-dioxothiolan-3-yl)-N-[(4-propoxyphenyl)methyl]naphthalene-1-carboxamide
CID 18818044
N-[(3R)-1,1-dioxothiolan-3-yl]-2-fluoro-N-(naphthalen-1-ylmethyl)benzamide
CID 40851294
N-[(5-bromofuran-2-yl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 42278598
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methylbenzamide
CID 35043516

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide (CID 19243925) is N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide is O=C(c1cccc2ccccc12)N(Cc1ccc(N2CCCCC2)o1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide?
The InChIKey is GGIUAKANBTTYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c28-25(23-10-6-8-19-7-2-3-9-22(19)23)27(20-13-16-32(29,30)18-20)17-21-11-12-24(31-21)26-14-4-1-5-15-26/h2-3,6-12,20H,1,4-5,13-18H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 4.25, 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)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 19243925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).