N-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide

C18H20N2O3S — CID 649145

IUPACN-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(NC1CS(=O)(=O)CC1NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-18(15-9-5-2-6-10-15)20-17-13-24(22,23)12-16(17)19-11-14-7-3-1-4-8-14/h1-10,16-17,19H,11-13H2,(H,20,21)
InChIKeyGILCDYCQQSJGMT-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.37
Rot. Bonds5

About N-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide

N-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 649145) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide
PubChem CID649145
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(NC1CS(=O)(=O)CC1NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-18(15-9-5-2-6-10-15)20-17-13-24(22,23)12-16(17)19-11-14-7-3-1-4-8-14/h1-10,16-17,19H,11-13H2,(H,20,21)
InChIKeyGILCDYCQQSJGMT-UHFFFAOYSA-N
XLogP1.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of N-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide (CID 649145) is N-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for N-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for N-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide is O=C(NC1CS(=O)(=O)CC1NCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is GILCDYCQQSJGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18(15-9-5-2-6-10-15)20-17-13-24(22,23)12-16(17)19-11-14-7-3-1-4-8-14/h1-10,16-17,19H,11-13H2,(H,20,21).
What are the key properties of N-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide?
N-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 344.44 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 649145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).