N-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide

C16H21NO4S — CID 3738115

IUPACN-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(C)CCc2ccco2)cc1
InChIInChI=1S/C16H21NO4S/c1-13(6-7-15-5-4-12-21-15)17(2)22(18,19)16-10-8-14(20-3)9-11-16/h4-5,8-13H,6-7H2,1-3H3
InChIKeyUIIASYYYEGJPET-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.93
Rot. Bonds7

About N-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide

N-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 3738115) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide
PubChem CID3738115
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(C)CCc2ccco2)cc1
InChIInChI=1S/C16H21NO4S/c1-13(6-7-15-5-4-12-21-15)17(2)22(18,19)16-10-8-14(20-3)9-11-16/h4-5,8-13H,6-7H2,1-3H3
InChIKeyUIIASYYYEGJPET-UHFFFAOYSA-N
XLogP2.93
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide (CID 3738115) is N-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C(C)CCc2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is UIIASYYYEGJPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-13(6-7-15-5-4-12-21-15)17(2)22(18,19)16-10-8-14(20-3)9-11-16/h4-5,8-13H,6-7H2,1-3H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide?
N-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 323.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 3738115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).