N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide

C21H23NO4S — CID 5196392

IUPACN-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1C(CCNS(=O)(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C21H23NO4S/c1-16-9-11-17(12-10-16)27(23,24)22-14-13-19(21-8-5-15-26-21)18-6-3-4-7-20(18)25-2/h3-12,15,19,22H,13-14H2,1-2H3
InChIKeyXNXAQQDNYMTRES-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.10
Rot. Bonds8

About N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide

N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide (PubChem CID 5196392) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
PubChem CID5196392
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC NameN-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1C(CCNS(=O)(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C21H23NO4S/c1-16-9-11-17(12-10-16)27(23,24)22-14-13-19(21-8-5-15-26-21)18-6-3-4-7-20(18)25-2/h3-12,15,19,22H,13-14H2,1-2H3
InChIKeyXNXAQQDNYMTRES-UHFFFAOYSA-N
XLogP4.10
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide (CID 5196392) is N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide is COc1ccccc1C(CCNS(=O)(=O)c1ccc(C)cc1)c1ccco1.
What is the InChIKey of N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide?
The InChIKey is XNXAQQDNYMTRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4S/c1-16-9-11-17(12-10-16)27(23,24)22-14-13-19(21-8-5-15-26-21)18-6-3-4-7-20(18)25-2/h3-12,15,19,22H,13-14H2,1-2H3.
What are the key properties of N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide?
N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 4.10, 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)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 5196392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).