5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide

C16H17N3O5S2 — CID 4791478

IUPAC5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C16H17N3O5S2/c20-16(14-7-8-15(25-14)19(21)22)17-12-5-4-6-13(11-12)26(23,24)18-9-2-1-3-10-18/h4-8,11H,1-3,9-10H2,(H,17,20)
InChIKeyUXVKYKHDEKZAJX-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.08
Rot. Bonds5

About 5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide

5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 4791478) has the molecular formula C16H17N3O5S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID4791478
Molecular FormulaC16H17N3O5S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC Name5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C16H17N3O5S2/c20-16(14-7-8-15(25-14)19(21)22)17-12-5-4-6-13(11-12)26(23,24)18-9-2-1-3-10-18/h4-8,11H,1-3,9-10H2,(H,17,20)
InChIKeyUXVKYKHDEKZAJX-UHFFFAOYSA-N
XLogP3.08
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.08
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

5-methyl-4-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55575767
5-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-2-carboxamide
CID 36843795
N-[3-(azepan-1-ylsulfonyl)phenyl]-3,5-dinitrobenzamide
CID 13098766
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide
CID 26593085
3-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759828
N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7926236
5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 27285599
1-(4-nitrophenyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea
CID 8002734
4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 9414960
2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1381657
N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide
CID 7688896
N-[4-(4-tert-butylpiperidin-1-yl)sulfonylphenyl]-5-nitrothiophene-2-carboxamide
CID 91669151

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide (CID 4791478) is 5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is UXVKYKHDEKZAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S2/c20-16(14-7-8-15(25-14)19(21)22)17-12-5-4-6-13(11-12)26(23,24)18-9-2-1-3-10-18/h4-8,11H,1-3,9-10H2,(H,17,20).
What are the key properties of 5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 4791478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).