3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide

C16H15Cl2NO4S — CID 8019928

IUPAC3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(c1cc(Cl)cc(Cl)c1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H15Cl2NO4S/c17-12-6-11(7-13(18)8-12)16(20)19(9-15-2-1-4-23-15)14-3-5-24(21,22)10-14/h1-2,4,6-8,14H,3,5,9-10H2/t14-/m1/s1
InChIKeyIZPNBXSUUHZFGT-CQSZACIVSA-N
MW388.27 g/mol
LogP3.42
Rot. Bonds4

About 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide

3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 8019928) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
PubChem CID8019928
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Name3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(c1cc(Cl)cc(Cl)c1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H15Cl2NO4S/c17-12-6-11(7-13(18)8-12)16(20)19(9-15-2-1-4-23-15)14-3-5-24(21,22)10-14/h1-2,4,6-8,14H,3,5,9-10H2/t14-/m1/s1
InChIKeyIZPNBXSUUHZFGT-CQSZACIVSA-N
XLogP3.42
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 35122106
N-[(3S)-1,1-dioxothiolan-3-yl]-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 7379163
3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 40872049
3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 3433782
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 102565822
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2559812
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3759925
4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 82811231
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 4859439
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 51927498
6-chloro-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-7-methyl-4-oxochromene-2-carboxamide
CID 666906

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide (CID 8019928) is 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide is O=C(c1cc(Cl)cc(Cl)c1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is IZPNBXSUUHZFGT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c17-12-6-11(7-13(18)8-12)16(20)19(9-15-2-1-4-23-15)14-3-5-24(21,22)10-14/h1-2,4,6-8,14H,3,5,9-10H2/t14-/m1/s1.
What are the key properties of 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide?
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 388.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 8019928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).