N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

C20H26N2O4S — CID 53286121

IUPACN-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(NCCCc1ccco1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H26N2O4S/c23-20(21-12-4-6-19-7-5-15-26-19)18-10-8-17(9-11-18)16-27(24,25)22-13-2-1-3-14-22/h5,7-11,15H,1-4,6,12-14,16H2,(H,21,23)
InChIKeyFTNBEEJBNOCNJI-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.96
Rot. Bonds8

About N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (PubChem CID 53286121) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
PubChem CID53286121
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(NCCCc1ccco1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H26N2O4S/c23-20(21-12-4-6-19-7-5-15-26-19)18-10-8-17(9-11-18)16-27(24,25)22-13-2-1-3-14-22/h5,7-11,15H,1-4,6,12-14,16H2,(H,21,23)
InChIKeyFTNBEEJBNOCNJI-UHFFFAOYSA-N
XLogP2.96
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 53285943
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921
1-[(4-bromophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-4-carboxamide
CID 53283991
N-[3-(azepan-1-yl)propyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969584
N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide
CID 53282150
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92673523
N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 38004690
N-[2-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99959532
N-(2-cyclohexylsulfanylethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92676402
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92676922
4-(morpholin-4-ylsulfonylmethyl)-N-(2-phenylethyl)benzamide
CID 92678255
N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99949383

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (CID 53286121) is N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is O=C(NCCCc1ccco1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is FTNBEEJBNOCNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c23-20(21-12-4-6-19-7-5-15-26-19)18-10-8-17(9-11-18)16-27(24,25)22-13-2-1-3-14-22/h5,7-11,15H,1-4,6,12-14,16H2,(H,21,23).
What are the key properties of N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 390.51 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 53286121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).