N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide

C25H27NO6S — CID 118060867

IUPACN-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide
SMILESCOc1ccc(/C=C/C(=O)c2ccc(OC)c3c2OC(C)(C)C=C3)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C25H27NO6S/c1-25(2)14-13-19-22(30-3)12-9-18(24(19)32-25)21(27)10-5-16-6-11-23(31-4)20(15-16)26-33(28,29)17-7-8-17/h5-6,9-15,17,26H,7-8H2,1-4H3/b10-5+
InChIKeyUHUUOHGXJXLVCQ-BJMVGYQFSA-N
MW469.56 g/mol
LogP4.69
Rot. Bonds8

About N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide

N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide (PubChem CID 118060867) has the molecular formula C25H27NO6S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide
PubChem CID118060867
Molecular FormulaC25H27NO6S
Molecular Weight469.56 g/mol
Exact Mass469.16
IUPAC NameN-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide
SMILESCOc1ccc(/C=C/C(=O)c2ccc(OC)c3c2OC(C)(C)C=C3)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C25H27NO6S/c1-25(2)14-13-19-22(30-3)12-9-18(24(19)32-25)21(27)10-5-16-6-11-23(31-4)20(15-16)26-33(28,29)17-7-8-17/h5-6,9-15,17,26H,7-8H2,1-4H3/b10-5+
InChIKeyUHUUOHGXJXLVCQ-BJMVGYQFSA-N
XLogP4.69
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide (CID 118060867) is N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide is COc1ccc(/C=C/C(=O)c2ccc(OC)c3c2OC(C)(C)C=C3)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide?
The InChIKey is UHUUOHGXJXLVCQ-BJMVGYQFSA-N. The full InChI is InChI=1S/C25H27NO6S/c1-25(2)14-13-19-22(30-3)12-9-18(24(19)32-25)21(27)10-5-16-6-11-23(31-4)20(15-16)26-33(28,29)17-7-8-17/h5-6,9-15,17,26H,7-8H2,1-4H3/b10-5+.
What are the key properties of N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide?
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide has a molecular weight of 469.56 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 118060867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).