N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C19H21NO5S2 — CID 90495780

IUPACN-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2ccco2)c(OC)c1
InChIInChI=1S/C19H21NO5S2/c1-23-15-7-8-19(18(13-15)24-2)27(21,22)20(14-16-5-3-11-25-16)10-9-17-6-4-12-26-17/h3-8,11-13H,9-10,14H2,1-2H3
InChIKeyCUUPWHZKCXBVGN-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.79
Rot. Bonds9

About N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide

N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 90495780) has the molecular formula C19H21NO5S2 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID90495780
Molecular FormulaC19H21NO5S2
Molecular Weight407.51 g/mol
Exact Mass407.09
IUPAC NameN-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2ccco2)c(OC)c1
InChIInChI=1S/C19H21NO5S2/c1-23-15-7-8-19(18(13-15)24-2)27(21,22)20(14-16-5-3-11-25-16)10-9-17-6-4-12-26-17/h3-8,11-13H,9-10,14H2,1-2H3
InChIKeyCUUPWHZKCXBVGN-UHFFFAOYSA-N
XLogP3.79
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733479
2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90495790
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633
N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 90495783
3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495815
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 90495710
N-ethyl-2-methoxy-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 39633177
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 60510056
4-(chloromethyl)-2-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 102704190

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 90495780) is N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2ccco2)c(OC)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is CUUPWHZKCXBVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S2/c1-23-15-7-8-19(18(13-15)24-2)27(21,22)20(14-16-5-3-11-25-16)10-9-17-6-4-12-26-17/h3-8,11-13H,9-10,14H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 407.51 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90495780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).