N-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide

C16H18N2O4S — CID 654224

IUPACN-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(NC1CS(=O)(=O)CC1NCc1ccco1)c1ccccc1
InChIInChI=1S/C16H18N2O4S/c19-16(12-5-2-1-3-6-12)18-15-11-23(20,21)10-14(15)17-9-13-7-4-8-22-13/h1-8,14-15,17H,9-11H2,(H,18,19)
InChIKeyILGDJVNLXLNWSP-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.96
Rot. Bonds5

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

N-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 654224) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide
PubChem CID654224
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(NC1CS(=O)(=O)CC1NCc1ccco1)c1ccccc1
InChIInChI=1S/C16H18N2O4S/c19-16(12-5-2-1-3-6-12)18-15-11-23(20,21)10-14(15)17-9-13-7-4-8-22-13/h1-8,14-15,17H,9-11H2,(H,18,19)
InChIKeyILGDJVNLXLNWSP-UHFFFAOYSA-N
XLogP0.96
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of N-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide (CID 654224) is N-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for N-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide is O=C(NC1CS(=O)(=O)CC1NCc1ccco1)c1ccccc1.
What is the InChIKey of N-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is ILGDJVNLXLNWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-16(12-5-2-1-3-6-12)18-15-11-23(20,21)10-14(15)17-9-13-7-4-8-22-13/h1-8,14-15,17H,9-11H2,(H,18,19).
What are the key properties of N-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide?
N-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 334.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 654224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).