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

C30H28N2O12S2 — CID 16737481

IUPAC4-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
SMILESCOc1c2ccoc2c(S(=O)(=O)NCCCCNS(=O)(=O)c2c3occc3c(OC)c3c(=O)cc(C)oc23)c2oc(C)cc(=O)c12
InChIInChI=1S/C30H28N2O12S2/c1-15-13-19(33)21-23(39-3)17-7-11-41-25(17)29(27(21)43-15)45(35,36)31-9-5-6-10-32-46(37,38)30-26-18(8-12-42-26)24(40-4)22-20(34)14-16(2)44-28(22)30/h7-8,11-14,31-32H,5-6,9-10H2,1-4H3
InChIKeyVGZUEVWKRLAIRC-UHFFFAOYSA-N
MW672.69 g/mol
LogP4.06
Rot. Bonds11

About 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

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 (PubChem CID 16737481) has the molecular formula C30H28N2O12S2 and a molecular weight of 672.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID16737481
Molecular FormulaC30H28N2O12S2
Molecular Weight672.69 g/mol
Exact Mass672.11
IUPAC Name4-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
SMILESCOc1c2ccoc2c(S(=O)(=O)NCCCCNS(=O)(=O)c2c3occc3c(OC)c3c(=O)cc(C)oc23)c2oc(C)cc(=O)c12
InChIInChI=1S/C30H28N2O12S2/c1-15-13-19(33)21-23(39-3)17-7-11-41-25(17)29(27(21)43-15)45(35,36)31-9-5-6-10-32-46(37,38)30-26-18(8-12-42-26)24(40-4)22-20(34)14-16(2)44-28(22)30/h7-8,11-14,31-32H,5-6,9-10H2,1-4H3
InChIKeyVGZUEVWKRLAIRC-UHFFFAOYSA-N
XLogP4.06
TPSA197.50 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.69
LogP ≤ 54.06
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-[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 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-[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
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-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
N-[4-(4-methoxyphenyl)butyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288844
5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
CID 14482774

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1c2ccoc2c(S(=O)(=O)NCCCCNS(=O)(=O)c2c3occc3c(OC)c3c(=O)cc(C)oc23)c2oc(C)cc(=O)c12.
What is the InChIKey of 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?
The InChIKey is VGZUEVWKRLAIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O12S2/c1-15-13-19(33)21-23(39-3)17-7-11-41-25(17)29(27(21)43-15)45(35,36)31-9-5-6-10-32-46(37,38)30-26-18(8-12-42-26)24(40-4)22-20(34)14-16(2)44-28(22)30/h7-8,11-14,31-32H,5-6,9-10H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 672.69 g/mol, XLogP of 4.06, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 16737481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).