N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide

C12H16INOS — CID 78948393

IUPACN-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide
SMILESCCN(C(=O)c1csc(I)c1)C1CCCC1
InChIInChI=1S/C12H16INOS/c1-2-14(10-5-3-4-6-10)12(15)9-7-11(13)16-8-9/h7-8,10H,2-6H2,1H3
InChIKeyZEEFNBFVKPNSHY-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.76
Rot. Bonds3

About N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide

N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide (PubChem CID 78948393) has the molecular formula C12H16INOS and a molecular weight of 349.24 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide
PubChem CID78948393
Molecular FormulaC12H16INOS
Molecular Weight349.24 g/mol
Exact Mass349.00
IUPAC NameN-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide
SMILESCCN(C(=O)c1csc(I)c1)C1CCCC1
InChIInChI=1S/C12H16INOS/c1-2-14(10-5-3-4-6-10)12(15)9-7-11(13)16-8-9/h7-8,10H,2-6H2,1H3
InChIKeyZEEFNBFVKPNSHY-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948953
5-bromo-N-cyclohexyl-N-ethylthiophene-3-carboxamide
CID 43424613
N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78948676
N-[(2S)-2-cyanopropyl]-N-cyclopropyl-5-iodothiophene-3-carboxamide
CID 97087107
(2-ethylcyclohexyl)-(5-iodothiophen-3-yl)methanone
CID 114973805
N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79720840
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide
CID 79683756
5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide
CID 106625541
N-cyclopentyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 63037041
N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide
CID 78948345

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide?
The IUPAC name of N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide (CID 78948393) is N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide is CCN(C(=O)c1csc(I)c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide?
The InChIKey is ZEEFNBFVKPNSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INOS/c1-2-14(10-5-3-4-6-10)12(15)9-7-11(13)16-8-9/h7-8,10H,2-6H2,1H3.
What are the key properties of N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide?
N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide has a molecular weight of 349.24 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78948393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).