N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide

C20H28N2O3S — CID 112503410

IUPACN-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC(c1ccco1)N1CCCCCC1
InChIInChI=1S/C20H28N2O3S/c23-26(24,16-12-18-9-4-3-5-10-18)21-17-19(20-11-8-15-25-20)22-13-6-1-2-7-14-22/h3-5,8-11,15,19,21H,1-2,6-7,12-14,16-17H2
InChIKeyFBROQJYSUSNNPW-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.36
Rot. Bonds8

About N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide

N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide (PubChem CID 112503410) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide
PubChem CID112503410
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC(c1ccco1)N1CCCCCC1
InChIInChI=1S/C20H28N2O3S/c23-26(24,16-12-18-9-4-3-5-10-18)21-17-19(20-11-8-15-25-20)22-13-6-1-2-7-14-22/h3-5,8-11,15,19,21H,1-2,6-7,12-14,16-17H2
InChIKeyFBROQJYSUSNNPW-UHFFFAOYSA-N
XLogP3.36
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
CID 55245447
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide
CID 116815945
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
CID 112506478
1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide
CID 97078733
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
CID 112506670
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
1-[2-(benzylsulfamoyl)ethyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111304834
N-(ethylsulfamoyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 110621642
N-[[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]sulfamoyl]propan-1-amine
CID 110621685
1-[2-(benzylsulfamoyl)ethyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111007588
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide (CID 112503410) is N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC(c1ccco1)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide?
The InChIKey is FBROQJYSUSNNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c23-26(24,16-12-18-9-4-3-5-10-18)21-17-19(20-11-8-15-25-20)22-13-6-1-2-7-14-22/h3-5,8-11,15,19,21H,1-2,6-7,12-14,16-17H2.
What are the key properties of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide?
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide has a molecular weight of 376.52 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 112503410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).