2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide

C16H21NO5S — CID 121132885

IUPAC2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C16H21NO5S/c1-3-22-15-5-4-12(2)10-16(15)23(19,20)17-8-6-14(18)13-7-9-21-11-13/h4-5,7,9-11,14,17-18H,3,6,8H2,1-2H3
InChIKeyNVXXARAICYRQQL-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.39
Rot. Bonds8

About 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide

2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide (PubChem CID 121132885) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide
PubChem CID121132885
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C16H21NO5S/c1-3-22-15-5-4-12(2)10-16(15)23(19,20)17-8-6-14(18)13-7-9-21-11-13/h4-5,7,9-11,14,17-18H,3,6,8H2,1-2H3
InChIKeyNVXXARAICYRQQL-UHFFFAOYSA-N
XLogP2.39
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 71804459
2-ethoxy-5-methyl-N-propylbenzenesulfonamide
CID 54449996
N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326
2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide
CID 90535196
5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide
CID 71798368
1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
CID 121132993
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866671
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
2-ethoxy-5-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890303
2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
CID 95187888
2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 50876758

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide (CID 121132885) is 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide is CCOc1ccc(C)cc1S(=O)(=O)NCCC(O)c1ccoc1.
What is the InChIKey of 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide?
The InChIKey is NVXXARAICYRQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5S/c1-3-22-15-5-4-12(2)10-16(15)23(19,20)17-8-6-14(18)13-7-9-21-11-13/h4-5,7,9-11,14,17-18H,3,6,8H2,1-2H3.
What are the key properties of 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide?
2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide has a molecular weight of 339.41 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 121132885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).