5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide

C16H19N3O4S — CID 5202369

IUPAC5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc([N+](=O)[O-])o1)C(c1cccs1)N1CCCC1
InChIInChI=1S/C16H19N3O4S/c1-11(17-16(20)12-6-7-14(23-12)19(21)22)15(13-5-4-10-24-13)18-8-2-3-9-18/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,17,20)
InChIKeyOUTAAJRTTHDXBU-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.20
Rot. Bonds6

About 5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide

5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide (PubChem CID 5202369) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide
PubChem CID5202369
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc([N+](=O)[O-])o1)C(c1cccs1)N1CCCC1
InChIInChI=1S/C16H19N3O4S/c1-11(17-16(20)12-6-7-14(23-12)19(21)22)15(13-5-4-10-24-13)18-8-2-3-9-18/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,17,20)
InChIKeyOUTAAJRTTHDXBU-UHFFFAOYSA-N
XLogP3.20
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
CID 5066476
N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
CID 29181274
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide
CID 7269076
N-[(1R,2R)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-4-carboxamide
CID 92665829
3-(azepan-1-ylsulfonyl)-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 25360181
N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 3241321
2-methyl-N-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 92665812
2-methyl-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 92665810
2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2374684
2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 28820860
N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 28821030

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide (CID 5202369) is 5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide is CC(NC(=O)c1ccc([N+](=O)[O-])o1)C(c1cccs1)N1CCCC1.
What is the InChIKey of 5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide?
The InChIKey is OUTAAJRTTHDXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11(17-16(20)12-6-7-14(23-12)19(21)22)15(13-5-4-10-24-13)18-8-2-3-9-18/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,17,20).
What are the key properties of 5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide?
5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 5202369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).