N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide

C13H18N2O4S — CID 111425705

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC(O)C2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4S/c1-8-10(15(18)19)6-12(20-8)13(17)14-7-11(16)9-4-2-3-5-9/h6,9,11,16H,2-5,7H2,1H3,(H,14,17)
InChIKeyKOZUIGNREUAERS-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.25
Rot. Bonds5

About N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide

N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide (PubChem CID 111425705) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide
PubChem CID111425705
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC(O)C2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4S/c1-8-10(15(18)19)6-12(20-8)13(17)14-7-11(16)9-4-2-3-5-9/h6,9,11,16H,2-5,7H2,1H3,(H,14,17)
InChIKeyKOZUIGNREUAERS-UHFFFAOYSA-N
XLogP2.25
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 111426339
N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 111441379
N-(2-cyclohexyl-2-hydroxyethyl)-4-methyl-3-nitrobenzamide
CID 90498788
N-(2,2-diphenylethyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 46443466
N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide
CID 111425871
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylthiophene-2-carboxamide
CID 111426354
N-(2-amino-1-cyclopropylethyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 119615656
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 111697277
5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride
CID 119432221
N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 119628583
N-(3-aminobutyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 119497617
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 120947759

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide (CID 111425705) is N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide is Cc1sc(C(=O)NCC(O)C2CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide?
The InChIKey is KOZUIGNREUAERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-8-10(15(18)19)6-12(20-8)13(17)14-7-11(16)9-4-2-3-5-9/h6,9,11,16H,2-5,7H2,1H3,(H,14,17).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide?
N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide is sourced from PubChem (CID 111425705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).