N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide

C16H23NO4S — CID 113096080

IUPACN-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C16H23NO4S/c1-3-10-22(18,19)17(2)7-4-14-13-6-9-20-15(13)11-12-5-8-21-16(12)14/h11H,3-10H2,1-2H3
InChIKeyGMKVZOMQPJEMEQ-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.77
Rot. Bonds6

About N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide

N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide (PubChem CID 113096080) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide
PubChem CID113096080
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC NameN-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C16H23NO4S/c1-3-10-22(18,19)17(2)7-4-14-13-6-9-20-15(13)11-12-5-8-21-16(12)14/h11H,3-10H2,1-2H3
InChIKeyGMKVZOMQPJEMEQ-UHFFFAOYSA-N
XLogP1.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide
CID 113096103
3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113096077
N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzamide
CID 113096026
N,N-dipropyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199457
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 115010687
N-butyl-N-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200003
N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113096051
methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
CID 116986293
N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199444
2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
CID 113095348
2,2-dimethyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113095519
2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine
CID 116986250

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide (CID 113096080) is N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)N(C)CCc1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide?
The InChIKey is GMKVZOMQPJEMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-3-10-22(18,19)17(2)7-4-14-13-6-9-20-15(13)11-12-5-8-21-16(12)14/h11H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide?
N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide has a molecular weight of 325.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 113096080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).