N-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide

C22H25NO4S — CID 113096402

IUPACN-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(Cc2c3c(cc4c2OCC4)OCC3)C2CC2)c1
InChIInChI=1S/C22H25NO4S/c1-14-3-4-15(2)21(11-14)28(24,25)23(17-5-6-17)13-19-18-8-10-26-20(18)12-16-7-9-27-22(16)19/h3-4,11-12,17H,5-10,13H2,1-2H3
InChIKeyCDIZABZWOFYVSA-UHFFFAOYSA-N
MW399.51 g/mol
LogP3.53
Rot. Bonds5

About N-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide

N-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide (PubChem CID 113096402) has the molecular formula C22H25NO4S and a molecular weight of 399.51 g/mol. Its IUPAC name is N-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
PubChem CID113096402
Molecular FormulaC22H25NO4S
Molecular Weight399.51 g/mol
Exact Mass399.15
IUPAC NameN-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(Cc2c3c(cc4c2OCC4)OCC3)C2CC2)c1
InChIInChI=1S/C22H25NO4S/c1-14-3-4-15(2)21(11-14)28(24,25)23(17-5-6-17)13-19-18-8-10-26-20(18)12-16-7-9-27-22(16)19/h3-4,11-12,17H,5-10,13H2,1-2H3
InChIKeyCDIZABZWOFYVSA-UHFFFAOYSA-N
XLogP3.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide (CID 113096402) is N-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(Cc2c3c(cc4c2OCC4)OCC3)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
The InChIKey is CDIZABZWOFYVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4S/c1-14-3-4-15(2)21(11-14)28(24,25)23(17-5-6-17)13-19-18-8-10-26-20(18)12-16-7-9-27-22(16)19/h3-4,11-12,17H,5-10,13H2,1-2H3.
What are the key properties of N-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
N-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide has a molecular weight of 399.51 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 113096402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).