(E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide

C15H20N2O4S2 — CID 6224188

IUPAC(E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)/C=C/c1cccs1
InChIInChI=1S/C15H20N2O4S2/c1-2-17(15(19)6-5-13-4-3-8-22-13)10-14(18)16-12-7-9-23(20,21)11-12/h3-6,8,12H,2,7,9-11H2,1H3,(H,16,18)/b6-5+
InChIKeyNUJLYWMDQYFVSD-AATRIKPKSA-N
MW356.47 g/mol
LogP0.91
Rot. Bonds6

About (E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 6224188) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide
PubChem CID6224188
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC Name(E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)/C=C/c1cccs1
InChIInChI=1S/C15H20N2O4S2/c1-2-17(15(19)6-5-13-4-3-8-22-13)10-14(18)16-12-7-9-23(20,21)11-12/h3-6,8,12H,2,7,9-11H2,1H3,(H,16,18)/b6-5+
InChIKeyNUJLYWMDQYFVSD-AATRIKPKSA-N
XLogP0.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Cyano-N-(1,1-dioxidotetrahydro-3-thienyl)-3-(3-methyl-2-thienyl)acrylamide
CID 6075599
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 2385929
(E)-3-(2-thienyl)-N-[2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180429
(E)-N-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylprop-2-enamide
CID 5350909
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-2-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanamide
CID 6533001
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethyl-2-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanamide
CID 6533026
N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide
CID 16232480
2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 18144874
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-methylpropanamide
CID 2389676
2-(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7893113
(E)-3,3-dimethyl-4-(3-(thiophen-2-yl)acryloyl)piperazin-2-one
CID 16863790
N-(prop-2-en-1-yl)-N'-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide
CID 22584109

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide (CID 6224188) is (E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide is CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is NUJLYWMDQYFVSD-AATRIKPKSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c1-2-17(15(19)6-5-13-4-3-8-22-13)10-14(18)16-12-7-9-23(20,21)11-12/h3-6,8,12H,2,7,9-11H2,1H3,(H,16,18)/b6-5+.
What are the key properties of (E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 356.47 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6224188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).