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

C20H24N2O6S2 — CID 2559812

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H24N2O6S2/c23-20(16-5-7-19(8-6-16)30(26,27)21-10-1-2-11-21)22(14-18-4-3-12-28-18)17-9-13-29(24,25)15-17/h3-8,12,17H,1-2,9-11,13-15H2/t17-/m1/s1
InChIKeyRDISZFSROKZLBI-QGZVFWFLSA-N
MW452.55 g/mol
LogP1.89
Rot. Bonds6

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

N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2559812) has the molecular formula C20H24N2O6S2 and a molecular weight of 452.55 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2559812
Molecular FormulaC20H24N2O6S2
Molecular Weight452.55 g/mol
Exact Mass452.11
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H24N2O6S2/c23-20(16-5-7-19(8-6-16)30(26,27)21-10-1-2-11-21)22(14-18-4-3-12-28-18)17-9-13-29(24,25)15-17/h3-8,12,17H,1-2,9-11,13-15H2/t17-/m1/s1
InChIKeyRDISZFSROKZLBI-QGZVFWFLSA-N
XLogP1.89
TPSA104.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 8019928
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 102565822
N-[(3S)-1,1-dioxothiolan-3-yl]-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 7379163
N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55984401
2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 35122106
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 40774867
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3759925
3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 40872049
(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 33094541
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55578239
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 2559812) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is RDISZFSROKZLBI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O6S2/c23-20(16-5-7-19(8-6-16)30(26,27)21-10-1-2-11-21)22(14-18-4-3-12-28-18)17-9-13-29(24,25)15-17/h3-8,12,17H,1-2,9-11,13-15H2/t17-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 452.55 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2559812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).