N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide

C12H16N2O3S — CID 134059838

IUPACN-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1
InChIInChI=1S/C12H16N2O3S/c1-2-13(9-5-3-4-6-9)12(15)10-7-8-11(18-10)14(16)17/h7-9H,2-6H2,1H3
InChIKeyXYSMZMLATNJCBX-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.06
Rot. Bonds4

About N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide

N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide (PubChem CID 134059838) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide
PubChem CID134059838
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1
InChIInChI=1S/C12H16N2O3S/c1-2-13(9-5-3-4-6-9)12(15)10-7-8-11(18-10)14(16)17/h7-9H,2-6H2,1H3
InChIKeyXYSMZMLATNJCBX-UHFFFAOYSA-N
XLogP3.06
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 6011097
(E)-3-(5-nitrothiophen-2-yl)-1-(piperidin-1-yl)prop-2-en-1-one
CID 6115727
N-cyclopentyl-5-nitrothiophene-2-carboxamide
CID 2108334
5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide
CID 16373551
(2,6-Dimethylmorpholin-4-yl)-(5-nitrothiophen-2-yl)methanone
CID 4414718
Morpholine, 4-((5-nitro-2-thienyl)carbonyl)-
CID 207983
N-cycloheptyl-5-nitrothiophene-2-carboxamide
CID 4793744
2-nitro-N-prop-2-enylthiophene-5-carboxamide
CID 4208819
1-(5-Nitrothiophene-2-carbonyl)piperazine hydrochloride
CID 42933709
(Z)-3-isopropyl-5-((5-nitrothiophen-2-yl)methylene)-2-thioxothiazolidin-4-one
CID 2140441
N,N-bis(2-cyanoethyl)-5-nitrothiophene-2-carboxamide
CID 2571015
Antitrypanosomal agent 19
CID 169450501

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide (CID 134059838) is N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide is CCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide?
The InChIKey is XYSMZMLATNJCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-13(9-5-3-4-6-9)12(15)10-7-8-11(18-10)14(16)17/h7-9H,2-6H2,1H3.
What are the key properties of N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide?
N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 134059838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).