N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C20H22N2O4S — CID 52906814

IUPACN-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C20H22N2O4S/c1-15-11-19(25-3)20(12-16(15)2)27(23,24)22(14-18-8-6-10-26-18)13-17-7-4-5-9-21-17/h4-12H,13-14H2,1-3H3
InChIKeyWDGQZVDYIFEKCL-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.69
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 52906814) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID52906814
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C20H22N2O4S/c1-15-11-19(25-3)20(12-16(15)2)27(23,24)22(14-18-8-6-10-26-18)13-17-7-4-5-9-21-17/h4-12H,13-14H2,1-3H3
InChIKeyWDGQZVDYIFEKCL-UHFFFAOYSA-N
XLogP3.69
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084730
2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084747
2,6-difluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906808
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084748
N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 108781417
N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084753
N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084763
N-(furan-2-ylmethyl)-2-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 56795188
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 121084710
1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide
CID 655016
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668627
N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide
CID 2563703

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 52906814) is N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is WDGQZVDYIFEKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15-11-19(25-3)20(12-16(15)2)27(23,24)22(14-18-8-6-10-26-18)13-17-7-4-5-9-21-17/h4-12H,13-14H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 52906814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).