[5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone

C19H21ClN2O4S — CID 8530152

IUPAC[5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2Cl)o1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C19H21ClN2O4S/c20-16-4-2-1-3-15(16)17-5-6-18(26-17)19(23)22-10-8-21(9-11-22)14-7-12-27(24,25)13-14/h1-6,14H,7-13H2/t14-/m1/s1
InChIKeyDKQLDHBOXKEBQV-CQSZACIVSA-N
MW408.91 g/mol
LogP2.54
Rot. Bonds3

About [5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone

[5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone (PubChem CID 8530152) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is [5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
PubChem CID8530152
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name[5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2Cl)o1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C19H21ClN2O4S/c20-16-4-2-1-3-15(16)17-5-6-18(26-17)19(23)22-10-8-21(9-11-22)14-7-12-27(24,25)13-14/h1-6,14H,7-13H2/t14-/m1/s1
InChIKeyDKQLDHBOXKEBQV-CQSZACIVSA-N
XLogP2.54
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 8530163
(2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 134033948
1-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021600
(4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone
CID 44585642
(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 17420074
[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 18105311
5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide
CID 70748000
(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113435
ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate
CID 27555148
2-(2,6-dichlorophenyl)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone
CID 84855092
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-chlorophenyl)furan-2-yl]methanone
CID 18157487
2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]phenyl]benzonitrile
CID 26009658

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone?
The IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone (CID 8530152) is [5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for [5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone is O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of [5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone?
The InChIKey is DKQLDHBOXKEBQV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c20-16-4-2-1-3-15(16)17-5-6-18(26-17)19(23)22-10-8-21(9-11-22)14-7-12-27(24,25)13-14/h1-6,14H,7-13H2/t14-/m1/s1.
What are the key properties of [5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone?
[5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone has a molecular weight of 408.91 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 8530152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).