N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide

C17H19N3O4S — CID 4251869

IUPACN-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccco1
InChIInChI=1S/C17H19N3O4S/c1-13(16-8-5-11-24-16)18-19-17(21)14-6-4-7-15(12-14)25(22,23)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,21)
InChIKeyOBCZNDZLMXGEQQ-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.22
Rot. Bonds5

About N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 4251869) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID4251869
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccco1
InChIInChI=1S/C17H19N3O4S/c1-13(16-8-5-11-24-16)18-19-17(21)14-6-4-7-15(12-14)25(22,23)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,21)
InChIKeyOBCZNDZLMXGEQQ-UHFFFAOYSA-N
XLogP2.22
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3295556
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135775289
3-piperidin-1-ylsulfonyl-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
CID 3451830
N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469
3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5407477
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135755195
N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55614572
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
3-pyrrolidin-1-ylsulfonyl-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 3351049
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135622247
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55332159
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6909722

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 4251869) is N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is OBCZNDZLMXGEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-13(16-8-5-11-24-16)18-19-17(21)14-6-4-7-15(12-14)25(22,23)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,21).
What are the key properties of N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 361.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4251869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).