5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide

C11H14BrNO3S2 — CID 60739077

IUPAC5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide
SMILESCCN(C(=O)c1csc(Br)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14BrNO3S2/c1-2-13(9-3-4-18(15,16)7-9)11(14)8-5-10(12)17-6-8/h5-6,9H,2-4,7H2,1H3
InChIKeyRODKESBEFOITCP-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.16
Rot. Bonds3

About 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide

5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide (PubChem CID 60739077) has the molecular formula C11H14BrNO3S2 and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide
PubChem CID60739077
Molecular FormulaC11H14BrNO3S2
Molecular Weight352.28 g/mol
Exact Mass350.96
IUPAC Name5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide
SMILESCCN(C(=O)c1csc(Br)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14BrNO3S2/c1-2-13(9-3-4-18(15,16)7-9)11(14)8-5-10(12)17-6-8/h5-6,9H,2-4,7H2,1H3
InChIKeyRODKESBEFOITCP-UHFFFAOYSA-N
XLogP2.16
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948953
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63859215
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694235
N-[(3R)-1,1-dioxothiolan-3-yl]-4-(1,3-dithiolan-2-yl)-N-ethylbenzamide
CID 41076534
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide
CID 110761487
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 43346859
3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-fluorobenzamide
CID 61112481
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide
CID 18155646
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-4-carboxamide
CID 110853810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide (CID 60739077) is 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide is CCN(C(=O)c1csc(Br)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide?
The InChIKey is RODKESBEFOITCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S2/c1-2-13(9-3-4-18(15,16)7-9)11(14)8-5-10(12)17-6-8/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide?
5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide is sourced from PubChem (CID 60739077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).