N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide

C14H20N2O3S — CID 81039861

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-2-15-13-8-4-3-7-12(13)14(17)16-10-11-6-5-9-20(11,18)19/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3,(H,16,17)
InChIKeyYWYGEWKNEUWNLS-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.43
Rot. Bonds5

About N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide

N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide (PubChem CID 81039861) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide
PubChem CID81039861
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-2-15-13-8-4-3-7-12(13)14(17)16-10-11-6-5-9-20(11,18)19/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3,(H,16,17)
InChIKeyYWYGEWKNEUWNLS-UHFFFAOYSA-N
XLogP1.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide (CID 81039861) is N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide is CCNc1ccccc1C(=O)NCC1CCCS1(=O)=O.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide?
The InChIKey is YWYGEWKNEUWNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-15-13-8-4-3-7-12(13)14(17)16-10-11-6-5-9-20(11,18)19/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3,(H,16,17).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide?
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide has a molecular weight of 296.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide is sourced from PubChem (CID 81039861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).