N-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide

C18H22N2O5S2 — CID 3918084

IUPACN-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O5S2/c1-2-20(12-18(21)19-16-9-10-26(22,23)13-16)27(24,25)17-8-7-14-5-3-4-6-15(14)11-17/h3-8,11,16H,2,9-10,12-13H2,1H3,(H,19,21)
InChIKeyQBDVKUKDWAGDFK-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.15
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide (PubChem CID 3918084) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
PubChem CID3918084
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O5S2/c1-2-20(12-18(21)19-16-9-10-26(22,23)13-16)27(24,25)17-8-7-14-5-3-4-6-15(14)11-17/h3-8,11,16H,2,9-10,12-13H2,1H3,(H,19,21)
InChIKeyQBDVKUKDWAGDFK-UHFFFAOYSA-N
XLogP1.15
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide (CID 3918084) is N-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide is CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The InChIKey is QBDVKUKDWAGDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-2-20(12-18(21)19-16-9-10-26(22,23)13-16)27(24,25)17-8-7-14-5-3-4-6-15(14)11-17/h3-8,11,16H,2,9-10,12-13H2,1H3,(H,19,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide has a molecular weight of 410.52 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 3918084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).