5-nitro-N-propylthiophene-2-carboxamide

C8H10N2O3S — CID 15907414

IUPAC5-nitro-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C8H10N2O3S/c1-2-5-9-8(11)6-3-4-7(14-6)10(12)13/h3-4H,2,5H2,1H3,(H,9,11)
InChIKeyDUSNYQSPBLQXDQ-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.80
Rot. Bonds4

About 5-nitro-N-propylthiophene-2-carboxamide

5-nitro-N-propylthiophene-2-carboxamide (PubChem CID 15907414) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 5-nitro-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-propylthiophene-2-carboxamide
PubChem CID15907414
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name5-nitro-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C8H10N2O3S/c1-2-5-9-8(11)6-3-4-7(14-6)10(12)13/h3-4H,2,5H2,1H3,(H,9,11)
InChIKeyDUSNYQSPBLQXDQ-UHFFFAOYSA-N
XLogP1.80
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
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

5-nitro-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
CID 3564247
N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide
CID 2726411
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
2-Thiophenecarboxamide, N-(2-(dimethylamino)ethyl)-5-methyl-4-nitro-, monohydrochloride
CID 3077113
2-Thiophenecarboxamide, 5-methyl-4-nitro-N-(3-(1-pyrrolidinyl)propyl)-, monohydrochloride
CID 3077117
Morpholine, 4-((5-nitro-2-thienyl)carbonyl)-
CID 207983
Cyto10E5
CID 2739980
N-cycloheptyl-5-nitrothiophene-2-carboxamide
CID 4793744
2-nitro-N-prop-2-enylthiophene-5-carboxamide
CID 4208819
5-(piperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 44480858

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-nitro-N-propylthiophene-2-carboxamide (CID 15907414) is 5-nitro-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-nitro-N-propylthiophene-2-carboxamide is CCCNC(=O)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-nitro-N-propylthiophene-2-carboxamide?
The InChIKey is DUSNYQSPBLQXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-2-5-9-8(11)6-3-4-7(14-6)10(12)13/h3-4H,2,5H2,1H3,(H,9,11).
What are the key properties of 5-nitro-N-propylthiophene-2-carboxamide?
5-nitro-N-propylthiophene-2-carboxamide has a molecular weight of 214.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 15907414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).