4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide

C28H24N2O12S2 — CID 16737253

IUPAC4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide
SMILESCOc1c2ccoc2c(S(=O)(=O)NCCNS(=O)(=O)c2c3occc3c(OC)c3c(=O)cc(C)oc23)c2oc(C)cc(=O)c12
InChIInChI=1S/C28H24N2O12S2/c1-13-11-17(31)19-21(37-3)15-5-9-39-23(15)27(25(19)41-13)43(33,34)29-7-8-30-44(35,36)28-24-16(6-10-40-24)22(38-4)20-18(32)12-14(2)42-26(20)28/h5-6,9-12,29-30H,7-8H2,1-4H3
InChIKeyKNALURGICVIRMC-UHFFFAOYSA-N
MW644.64 g/mol
LogP3.28
Rot. Bonds9

About 4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide

4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide (PubChem CID 16737253) has the molecular formula C28H24N2O12S2 and a molecular weight of 644.64 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide
PubChem CID16737253
Molecular FormulaC28H24N2O12S2
Molecular Weight644.64 g/mol
Exact Mass644.08
IUPAC Name4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide
SMILESCOc1c2ccoc2c(S(=O)(=O)NCCNS(=O)(=O)c2c3occc3c(OC)c3c(=O)cc(C)oc23)c2oc(C)cc(=O)c12
InChIInChI=1S/C28H24N2O12S2/c1-13-11-17(31)19-21(37-3)15-5-9-39-23(15)27(25(19)41-13)43(33,34)29-7-8-30-44(35,36)28-24-16(6-10-40-24)22(38-4)20-18(32)12-14(2)42-26(20)28/h5-6,9-12,29-30H,7-8H2,1-4H3
InChIKeyKNALURGICVIRMC-UHFFFAOYSA-N
XLogP3.28
TPSA197.50 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.64
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[4-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]butyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide
CID 16737481
cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate
CID 134815503
9-methoxy-7-methyl-4-phenylmethoxyfuro[3,2-g]chromen-5-one
CID 11537346
4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one
CID 11848275
4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 90014454
ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 143290576
9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one
CID 11683195
4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one
CID 160707353
4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane
CID 143290579
(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-7-yl)methyl acetate;methanethiol
CID 88685421
4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;(2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
CID 68507115
4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde
CID 101182137

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide?
The IUPAC name of 4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide (CID 16737253) is 4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide?
The canonical SMILES for 4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide is COc1c2ccoc2c(S(=O)(=O)NCCNS(=O)(=O)c2c3occc3c(OC)c3c(=O)cc(C)oc23)c2oc(C)cc(=O)c12.
What is the InChIKey of 4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide?
The InChIKey is KNALURGICVIRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O12S2/c1-13-11-17(31)19-21(37-3)15-5-9-39-23(15)27(25(19)41-13)43(33,34)29-7-8-30-44(35,36)28-24-16(6-10-40-24)22(38-4)20-18(32)12-14(2)42-26(20)28/h5-6,9-12,29-30H,7-8H2,1-4H3.
What are the key properties of 4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide?
4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide has a molecular weight of 644.64 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide is sourced from PubChem (CID 16737253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).