N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide

C15H16N2O4S — CID 39613699

IUPACN-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide
SMILESO=C(N[C@H](c1cccs1)C1CCCC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H16N2O4S/c18-15(11-7-8-13(21-11)17(19)20)16-14(10-4-1-2-5-10)12-6-3-9-22-12/h3,6-10,14H,1-2,4-5H2,(H,16,18)/t14-/m0/s1
InChIKeyJACSXKHWBOJIEI-AWEZNQCLSA-N
MW320.37 g/mol
LogP3.91
Rot. Bonds5

About N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide

N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide (PubChem CID 39613699) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide
PubChem CID39613699
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide
SMILESO=C(N[C@H](c1cccs1)C1CCCC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H16N2O4S/c18-15(11-7-8-13(21-11)17(19)20)16-14(10-4-1-2-5-10)12-6-3-9-22-12/h3,6-10,14H,1-2,4-5H2,(H,16,18)/t14-/m0/s1
InChIKeyJACSXKHWBOJIEI-AWEZNQCLSA-N
XLogP3.91
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
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-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-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

1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43789971
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 39032515
5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide
CID 5202369
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 81228997
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 39612382
N-[cyclopentyl(thiophen-2-yl)methyl]-2-nitroaniline
CID 43785516
2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide
CID 55689684
N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide
CID 63524576
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
CID 51943755

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide (CID 39613699) is N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide is O=C(N[C@H](c1cccs1)C1CCCC1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide?
The InChIKey is JACSXKHWBOJIEI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16N2O4S/c18-15(11-7-8-13(21-11)17(19)20)16-14(10-4-1-2-5-10)12-6-3-9-22-12/h3,6-10,14H,1-2,4-5H2,(H,16,18)/t14-/m0/s1.
What are the key properties of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide?
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 39613699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).