3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide

C18H19N3O4S — CID 37393089

IUPAC3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O4S/c22-18(19-9-4-11-21-12-5-10-20-21)17-15(8-13-25-17)14-26(23,24)16-6-2-1-3-7-16/h1-3,5-8,10,12-13H,4,9,11,14H2,(H,19,22)
InChIKeyBGJBQRWQUJTTTJ-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.27
Rot. Bonds8

About 3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide (PubChem CID 37393089) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
PubChem CID37393089
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O4S/c22-18(19-9-4-11-21-12-5-10-20-21)17-15(8-13-25-17)14-26(23,24)16-6-2-1-3-7-16/h1-3,5-8,10,12-13H,4,9,11,14H2,(H,19,22)
InChIKeyBGJBQRWQUJTTTJ-UHFFFAOYSA-N
XLogP2.27
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37392558
3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide
CID 126788090
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
3-(benzenesulfonylmethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 51284345
3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide
CID 51283677
3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 46665187
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 34978340
3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 46692750
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 104548263

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide (CID 37393089) is 3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide is O=C(NCCCn1cccn1)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
The InChIKey is BGJBQRWQUJTTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-18(19-9-4-11-21-12-5-10-20-21)17-15(8-13-25-17)14-26(23,24)16-6-2-1-3-7-16/h1-3,5-8,10,12-13H,4,9,11,14H2,(H,19,22).
What are the key properties of 3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 37393089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).