N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide

C20H20ClN3O4S — CID 53171415

IUPACN-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide
SMILESCC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N1CCC(NC(=O)c2ccoc2)CC1
InChIInChI=1S/C20H20ClN3O4S/c1-13-18(14-3-2-4-16(21)11-14)29(26,27)23-19(13)24-8-5-17(6-9-24)22-20(25)15-7-10-28-12-15/h2-4,7,10-12,17H,5-6,8-9H2,1H3,(H,22,25)
InChIKeyLOLDBZNIYXHAAS-UHFFFAOYSA-N
MW433.92 g/mol
LogP3.30
Rot. Bonds3

About N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide

N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide (PubChem CID 53171415) has the molecular formula C20H20ClN3O4S and a molecular weight of 433.92 g/mol. Its IUPAC name is N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide
PubChem CID53171415
Molecular FormulaC20H20ClN3O4S
Molecular Weight433.92 g/mol
Exact Mass433.09
IUPAC NameN-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide
SMILESCC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N1CCC(NC(=O)c2ccoc2)CC1
InChIInChI=1S/C20H20ClN3O4S/c1-13-18(14-3-2-4-16(21)11-14)29(26,27)23-19(13)24-8-5-17(6-9-24)22-20(25)15-7-10-28-12-15/h2-4,7,10-12,17H,5-6,8-9H2,1H3,(H,22,25)
InChIKeyLOLDBZNIYXHAAS-UHFFFAOYSA-N
XLogP3.30
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea
CID 53187044
N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 53171335
N-[1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 53171326
N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-2-carboxamide
CID 53171431
N-[1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]pyridine-2-carboxamide
CID 53171324
1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea
CID 53187036
(2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide
CID 95102089
N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]-2-phenylpropanamide
CID 53171349
(2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide
CID 95102098
3-methyl-N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 53171402
1-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-(3-methoxypropyl)urea
CID 53186994
N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide
CID 53171348

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide (CID 53171415) is N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide is CC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N1CCC(NC(=O)c2ccoc2)CC1.
What is the InChIKey of N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide?
The InChIKey is LOLDBZNIYXHAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S/c1-13-18(14-3-2-4-16(21)11-14)29(26,27)23-19(13)24-8-5-17(6-9-24)22-20(25)15-7-10-28-12-15/h2-4,7,10-12,17H,5-6,8-9H2,1H3,(H,22,25).
What are the key properties of N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide?
N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide has a molecular weight of 433.92 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 53171415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).