N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

C16H22N2O5S2 — CID 42912913

IUPACN-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H22N2O5S2/c1-2-18(12-16(19)17-15-9-10-24(20,21)13-15)25(22,23)11-8-14-6-4-3-5-7-14/h3-8,11,15H,2,9-10,12-13H2,1H3,(H,17,19)/b11-8+
InChIKeyIXVKQSCKCIDMRR-DHZHZOJOSA-N
MW386.50 g/mol
LogP0.61
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (PubChem CID 42912913) has the molecular formula C16H22N2O5S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
PubChem CID42912913
Molecular FormulaC16H22N2O5S2
Molecular Weight386.50 g/mol
Exact Mass386.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H22N2O5S2/c1-2-18(12-16(19)17-15-9-10-24(20,21)13-15)25(22,23)11-8-14-6-4-3-5-7-14/h3-8,11,15H,2,9-10,12-13H2,1H3,(H,17,19)/b11-8+
InChIKeyIXVKQSCKCIDMRR-DHZHZOJOSA-N
XLogP0.61
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.61
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-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (CID 42912913) is N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The InChIKey is IXVKQSCKCIDMRR-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H22N2O5S2/c1-2-18(12-16(19)17-15-9-10-24(20,21)13-15)25(22,23)11-8-14-6-4-3-5-7-14/h3-8,11,15H,2,9-10,12-13H2,1H3,(H,17,19)/b11-8+.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide has a molecular weight of 386.50 g/mol, XLogP of 0.61, 7 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-[(E)-2-phenylethenyl]sulfonylamino]acetamide is sourced from PubChem (CID 42912913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).