N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide

C11H14INO3S2 — CID 78948953

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide
SMILESCCN(C(=O)c1csc(I)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14INO3S2/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
InChIKeyZQQKUYVQOGIKNC-UHFFFAOYSA-N
MW399.28 g/mol
LogP2.00
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide (PubChem CID 78948953) has the molecular formula C11H14INO3S2 and a molecular weight of 399.28 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide
PubChem CID78948953
Molecular FormulaC11H14INO3S2
Molecular Weight399.28 g/mol
Exact Mass398.95
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide
SMILESCCN(C(=O)c1csc(I)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14INO3S2/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
InChIKeyZQQKUYVQOGIKNC-UHFFFAOYSA-N
XLogP2.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948757
5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide
CID 60739077
N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948393
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
3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-fluorobenzamide
CID 61112481
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63859215
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

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide (CID 78948953) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide is CCN(C(=O)c1csc(I)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide?
The InChIKey is ZQQKUYVQOGIKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO3S2/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 N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide has a molecular weight of 399.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78948953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).