N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide

C19H24N2O6S — CID 53281021

IUPACN-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCc2ccco2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C19H24N2O6S/c1-25-18-7-6-16(14-17(18)19(22)21-9-12-26-13-10-21)28(23,24)20-8-2-4-15-5-3-11-27-15/h3,5-7,11,14,20H,2,4,8-10,12-13H2,1H3
InChIKeyDZNYTHYNQKQBHN-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.67
Rot. Bonds8

About N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide

N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 53281021) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID53281021
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC NameN-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCc2ccco2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C19H24N2O6S/c1-25-18-7-6-16(14-17(18)19(22)21-9-12-26-13-10-21)28(23,24)20-8-2-4-15-5-3-11-27-15/h3,5-7,11,14,20H,2,4,8-10,12-13H2,1H3
InChIKeyDZNYTHYNQKQBHN-UHFFFAOYSA-N
XLogP1.67
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.67
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

4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 9003804
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 99957286
N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280836
4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 17200545
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 28633946
4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 99130763
4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 81438347
4-methoxy-N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 21368120
methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate
CID 100814264
N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 4808018

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 53281021) is N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCCc2ccco2)cc1C(=O)N1CCOCC1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is DZNYTHYNQKQBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-25-18-7-6-16(14-17(18)19(22)21-9-12-26-13-10-21)28(23,24)20-8-2-4-15-5-3-11-27-15/h3,5-7,11,14,20H,2,4,8-10,12-13H2,1H3.
What are the key properties of N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide?
N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 53281021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).