2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide

C16H15Cl2NO4S — CID 35122106

IUPAC2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1Cl)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H15Cl2NO4S/c17-11-3-4-14(15(18)8-11)16(20)19(9-13-2-1-6-23-13)12-5-7-24(21,22)10-12/h1-4,6,8,12H,5,7,9-10H2/t12-/m1/s1
InChIKeyOILIXSVRLQDLDL-GFCCVEGCSA-N
MW388.27 g/mol
LogP3.42
Rot. Bonds4

About 2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide

2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 35122106) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
PubChem CID35122106
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Name2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1Cl)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H15Cl2NO4S/c17-11-3-4-14(15(18)8-11)16(20)19(9-13-2-1-6-23-13)12-5-7-24(21,22)10-12/h1-4,6,8,12H,5,7,9-10H2/t12-/m1/s1
InChIKeyOILIXSVRLQDLDL-GFCCVEGCSA-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

3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 8019928
N-[(3S)-1,1-dioxothiolan-3-yl]-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 7379163
2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide
CID 18817930
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 3433782
3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 40872049
4-(4-chloro-2-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 2471363
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 102565822
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
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3759925
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]furan-2-carboxamide
CID 41057775

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide (CID 35122106) is 2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide is O=C(c1ccc(Cl)cc1Cl)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is OILIXSVRLQDLDL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c17-11-3-4-14(15(18)8-11)16(20)19(9-13-2-1-6-23-13)12-5-7-24(21,22)10-12/h1-4,6,8,12H,5,7,9-10H2/t12-/m1/s1.
What are the key properties of 2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide?
2,4-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 2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 35122106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).