4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

C16H21NO5S — CID 3552331

IUPAC4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCOCCN(Cc1ccc(C)o1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H21NO5S/c1-13-4-5-15(22-13)12-17(10-11-20-2)23(18,19)16-8-6-14(21-3)7-9-16/h4-9H,10-12H2,1-3H3
InChIKeyPNXAXZJIQXDRAX-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.43
Rot. Bonds8

About 4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 3552331) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID3552331
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCOCCN(Cc1ccc(C)o1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H21NO5S/c1-13-4-5-15(22-13)12-17(10-11-20-2)23(18,19)16-8-6-14(21-3)7-9-16/h4-9H,10-12H2,1-3H3
InChIKeyPNXAXZJIQXDRAX-UHFFFAOYSA-N
XLogP2.43
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]naphthalene-2-sulfonamide
CID 42773342
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 4030296
[2-methoxy-5-[[2-methoxyethyl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] methanesulfonate
CID 3425257
N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 18285388
4-methoxy-N-(2-methoxyethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 4903579
N,N-bis[2-[bis[(4-methoxyphenyl)sulfonyl]amino]ethyl]-4-methoxybenzenesulfonamide
CID 101372665
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55874025
4-bromo-N-[2-(4-methoxyphenyl)ethynyl]-N-[2-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 102298159
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 4010573
N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 60529997
1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 4238686

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 3552331) is 4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is COCCN(Cc1ccc(C)o1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is PNXAXZJIQXDRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5S/c1-13-4-5-15(22-13)12-17(10-11-20-2)23(18,19)16-8-6-14(21-3)7-9-16/h4-9H,10-12H2,1-3H3.
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 339.41 g/mol, XLogP of 2.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 3552331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).